N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C202-1208 |
Compound Name: | N-(4-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 488.44 |
Molecular Formula: | C23 H23 Cl2 N5 O S |
Smiles: | CC(C)C1C(=C(C)Nc2nc(nn12)SCc1ccc(cc1)[Cl])C(Nc1ccc(cc1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.955 |
logD: | 5.954 |
logSw: | -6.101 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.862 |
InChI Key: | MFMSDWZYVKSDFY-FQEVSTJZSA-N |