586993-85-3
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC22 H24 Cl N3 O2 S2
1Identification
【Name】
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04031227
【English Synonyms】
【Formula】
C22 H24 Cl N3 O2 S2
【MolWeight】
462.036
【Inchi】
InChI=1S/C22H24ClN3O2S2/c1-4-26-21(28)18-14-7-5-6-8-16(14)30-20(18)25-22(26)29-11-17(27)24-19-13(3)9-12(2)10-15(19)23/h9-10H,4-8,11H2,1-3H3,(H,24,27)
【InChIKey】
InChIKey=PRZWWZSYUVRRSJ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4c(cc(cc4Cl)C)C)CCCC3
【MOL File】
N-(2-CHLORO-4,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml