2-(benzylsulfanyl)-N-(3-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-(3-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(3-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
Compound ID: | D718-0414 |
Compound Name: | 2-(benzylsulfanyl)-N-(3-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
Molecular Weight: | 393.47 |
Molecular Formula: | C20 H19 N5 O2 S |
Smiles: | Cc1cccc(c1)NC(C1CC(Nc2nc(nn12)SCc1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8457 |
logD: | 2.8456 |
logSw: | -3.2495 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.124 |
InChI Key: | QIQNYEFCSJWFKS-INIZCTEOSA-N |