2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
Compound ID: | D718-0409 |
Compound Name: | 2-(benzylsulfanyl)-N-(5-chloro-2-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
Molecular Weight: | 427.91 |
Molecular Formula: | C20 H18 Cl N5 O2 S |
Smiles: | Cc1ccc(cc1NC(C1CC(Nc2nc(nn12)SCc1ccccc1)=O)=O)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2415 |
logD: | 3.2409 |
logSw: | -3.5725 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.426 |
InChI Key: | OCCCWZMUDPFDPT-INIZCTEOSA-N |