573930-44-6
3-(4-CHLOROPHENYL)-2-[[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name3-(4-CHLOROPHENYL)-2-[[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
FormulaC24 H18 Cl2 N2 O2 S2
1Identification
【Name】
3-(4-CHLOROPHENYL)-2-[[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD01850710
【English Synonyms】
【Formula】
C24 H18 Cl2 N2 O2 S2
【MolWeight】
501.456
【Inchi】
InChI=1S/C24H18Cl2N2O2S2/c25-15-7-5-14(6-8-15)19(29)13-31-24-27-22-21(18-3-1-2-4-20(18)32-22)23(30)28(24)17-11-9-16(26)10-12-17/h5-12H,1-4,13H2
【InChIKey】
InChIKey=VADRNMTXXRLPRG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)Cl)Cl
【MOL File】
3-(4-CHLOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-CHLOROPHENYL)-2-[[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml