N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 8019-5921 |
Compound Name: | N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-5-oxo-4,5,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
Molecular Weight: | 542.46 |
Molecular Formula: | C24 H17 Cl2 N5 O2 S2 |
Smiles: | C1Cc2c3C(N(c4cccc(c4)[Cl])c4nnc(n4c3sc2C1)SCC(Nc1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6022 |
logD: | 5.6021 |
logSw: | -6.1802 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.588 |
InChI Key: | MXGCOOUXUCDUFT-UHFFFAOYSA-N |