646450-89-7 ((7-Quinazolinamine,4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-)

CAS号:
646450-89-7
英文名称:
7-Quinazolinamine,4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-
分子式:
C21H23FN4O
分子量:
366.431927919388

7-Quinazolinamine,4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-(646450-89-7)名称与标识符

名称

英文别名:
7-Quinazolinamine,4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-;7-Quinazolinamine, 4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-;

标识符

InChIKey:
QBNATSWOBKPSOB-SFHVURJKSA-N
Inchi:
1S/C21H23FN4O/c1-3-27-18-10-11-26(13-18)21-19-9-8-17(12-20(19)23-14(2)24-21)25-16-6-4-15(22)5-7-16/h4-9,12,18,25H,3,10-11,13H2,1-2H3/t18-/m0/s1
SMILES:
N1=C2C(C=CC(NC3=CC=C(F)C=C3)=C2)=C(N2CC[C@H](OCC)C2)N=C1C

7-Quinazolinamine,4-[(3S)-3-ethoxy-1-pyrrolidinyl]-N-(4-fluorophenyl)-2-methyl-(646450-89-7)物化性质

实验特性

  • PSA : 50.28
  • 沸点 : 480.8±45.0 °C(Predicted)
  • 酸度系数(pKa) : 8.84±0.70(Predicted)
  • 密度 : 1.26±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 366.18579