172649-40-0
中文名称
3-[(4S)-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-4-YL]BENZONITRILE
英文名称
3-[(4S)-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-4-YL]BENZONITRILE
CAS
172649-40-0
分子式
C17H13F3N2O
分子量
318.29
MOL 文件
172649-40-0.mol
172649-40-0 结构式
基本信息
中文别名
化合物 T29208 英文别名
ZD0947AZD0947
AZD-0947
AZD 0947
ZD0947 >=98% (HPLC)
(S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile
3-[(4S)-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-4-YL]BENZONITRILE
Benzonitrile, 3-[(4S)-1,4,5,6,7,8-hexahydro-5-oxo-2-(trifluoromethyl)-4-quinolinyl]-
物理化学性质
沸点420.4±45.0 °C(Predicted)
密度1.36±0.1 g/cm3(Predicted)
储存条件2-8°C
溶解度DMSO: 2mg/mL, clear
酸度系数(pKa)-0.32±0.60(Predicted)
形态powder
颜色white to beige
旋光度 (Optical Rotation)[α]/D -625 to -575°, c =0.5 in methanol
InChI1S/C17H13F3N2O/c18-17(19,20)15-8-12(11-4-1-3-10(7-11)9-21)16-13(22-15)5-2-6-14(16)23/h1,3-4,7-8,12,22H,2,5-6H2/t12-/m0/s1
InChIKeyRUVMMEREJMHLOS-LBPRGKRZSA-N
SMILESO=C1C2=C(NC(C(F)(F)F)=C[C@H]2C3=CC(C#N)=CC=C3)CCC1