2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | C118-0468 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
Molecular Weight: | 411.91 |
Molecular Formula: | C20 H18 Cl N5 O S |
Smiles: | [H]N([H])C(C1C(c2ccccc2)n2c(NC=1C)nc(n2)SCc1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0209 |
logD: | 4.0193 |
logSw: | -4.284 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 69.558 |
InChI Key: | NCAWSNYGYJCPNU-KRWDZBQOSA-N |