1396863-20-9 ((1-(1,3-benzothiazol-2-yl)azetidin-3-yl 2-[4-(propane-2-sulfonyl)phenyl]acetate)

CAS号:
1396863-20-9
英文名称:
1-(1,3-benzothiazol-2-yl)azetidin-3-yl 2-[4-(propane-2-sulfonyl)phenyl]acetate
分子式:
C21H22N2O4S2
分子量:
430.540382862091

1-(1,3-benzothiazol-2-yl)azetidin-3-yl 2-[4-(propane-2-sulfonyl)phenyl]acetate(1396863-20-9)名称与标识符

名称

英文别名:
Benzeneacetic acid, 4-[(1-methylethyl)sulfonyl]-, 1-(2-benzothiazolyl)-3-azetidinyl ester;1-(1,3-benzothiazol-2-yl)azetidin-3-yl 2-[4-(propane-2-sulfonyl)phenyl]acetate;

标识符

InChIKey:
UIZGFCQIIRUYDG-UHFFFAOYSA-N
Inchi:
1S/C21H22N2O4S2/c1-14(2)29(25,26)17-9-7-15(8-10-17)11-20(24)27-16-12-23(13-16)21-22-18-5-3-4-6-19(18)28-21/h3-10,14,16H,11-13H2,1-2H3
SMILES:
C1(CC(OC2CN(C3=NC4=CC=CC=C4S3)C2)=O)=CC=C(S(C(C)C)(=O)=O)C=C1

1-(1,3-benzothiazol-2-yl)azetidin-3-yl 2-[4-(propane-2-sulfonyl)phenyl]acetate(1396863-20-9)物化性质

实验特性

  • 沸点 : 615.5±65.0 °C(Predicted)
  • 酸度系数(pKa) : 4.31±0.10(Predicted)
  • 密度 : 1.39±0.1 g/cm3(Predicted)