(2S)-4-[(2-Methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]am...
C27H36N6O3
2376257-44-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 39 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 4.6201 8.0022 0.0 0
M  V30 2 C 5.3901 6.6685 0.0 0 CFG=2
M  V30 3 C 6.9302 6.6685 0.0 0
M  V30 4 C 4.6201 5.3348 0.0 0
M  V30 5 C 7.7002 5.3348 0.0 0
M  V30 6 O 3.0801 5.3348 0.0 0
M  V30 7 O 5.3901 4.0012 0.0 0
M  V30 8 N 9.2402 5.3348 0.0 0
M  V30 9 C 10.0102 6.6685 0.0 0
M  V30 10 C 10.0102 4.0012 0.0 0
M  V30 11 C 11.5503 6.6685 0.0 0
M  V30 12 C 9.2402 2.6673 0.0 0
M  V30 13 C 12.3203 5.3348 0.0 0
M  V30 14 O 10.0102 1.3337 0.0 0
M  V30 15 C 13.8603 5.3348 0.0 0
M  V30 16 C 9.2402 0.0000 0.0 0
M  V30 17 C 2.3101 9.3360 0.0 0
M  V30 18 C 3.0801 8.0022 0.0 0
M  V30 19 C 0.7700 9.3360 0.0 0
M  V30 20 C 3.0801 10.6697 0.0 0
M  V30 21 N 2.3101 6.6685 0.0 0
M  V30 22 N 0.0000 8.0022 0.0 0
M  V30 23 C 0.0000 10.6697 0.0 0
M  V30 24 C 2.3101 12.0033 0.0 0
M  V30 25 C 0.7700 6.6685 0.0 0
M  V30 26 C 0.7700 12.0033 0.0 0
M  V30 27 C 14.6303 6.6685 0.0 0
M  V30 28 N 16.1704 6.6685 0.0 0
M  V30 29 C 13.8603 8.0022 0.0 0
M  V30 30 C 16.9404 8.0022 0.0 0
M  V30 31 C 14.6303 9.3360 0.0 0
M  V30 32 C 16.1704 9.3360 0.0 0
M  V30 33 N 18.4804 8.0022 0.0 0
M  V30 34 C 16.9404 10.6697 0.0 0
M  V30 35 C 19.2504 9.3360 0.0 0
M  V30 36 C 18.4804 10.6697 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=1
M  V30 2 1 1 18
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 3 5
M  V30 6 1 4 6
M  V30 7 2 4 7
M  V30 8 1 5 8
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 1 10 12
M  V30 13 1 11 13
M  V30 14 1 12 14
M  V30 15 1 13 15
M  V30 16 1 14 16
M  V30 17 1 15 27
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 17 20
M  V30 21 2 18 21
M  V30 22 1 19 22
M  V30 23 1 19 23
M  V30 24 2 20 24
M  V30 25 1 21 25
M  V30 26 2 22 25
M  V30 27 2 23 26
M  V30 28 1 24 26
M  V30 29 1 27 28
M  V30 30 2 27 29
M  V30 31 1 28 30
M  V30 32 1 29 31
M  V30 33 1 30 32
M  V30 34 2 30 33
M  V30 35 2 31 32
M  V30 36 1 32 34
M  V30 37 1 33 35
M  V30 38 1 34 36
M  V30 39 1 35 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2376257-44-0

> <cas.index.name>
Butanoic acid, 4-[(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(4-quinazolinylamino)-, (2S)-

> <molecular.formula>
C27H36N6O3

> <molecular.weight>
492.61

> <boiling.point.predicted>
769.7±60.0 °C    Press: 760 Torr

> <density.predicted>
1.27±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.08±0.10    Most Acidic Temp: 25 °C

$$$$
