577987-67-8
N-(4-CHLOROPHENYL)-2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
NameN-(4-CHLOROPHENYL)-2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
FormulaC24 H19 Cl2 N3 O2 S2
1Identification
【Name】
N-(4-CHLOROPHENYL)-2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD01850704
【English Synonyms】
【Formula】
C24 H19 Cl2 N3 O2 S2
【MolWeight】
516.471
【Inchi】
InChI=1S/C24H19Cl2N3O2S2/c25-14-5-9-16(10-6-14)27-20(30)13-32-24-28-22-21(18-3-1-2-4-19(18)33-22)23(31)29(24)17-11-7-15(26)8-12-17/h5-12H,1-4,13H2,(H,27,30)
【InChIKey】
InChIKey=DMCGEOZLNMVLFZ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)Cl)Cl
【MOL File】
N-(4-CHLOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-CHLOROPHENYL)-2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]ACETAMIDE.cml