2-(benzylsulfanyl)-N-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0420 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 448.33 |
| Molecular Formula: | C19 H15 Cl2 N5 O2 S |
| Smiles: | C1C(C(Nc2ccc(cc2[Cl])[Cl])=O)n2c(NC1=O)nc(n2)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7262 |
| logD: | 3.7042 |
| logSw: | -4.051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.426 |
| InChI Key: | OVZPAGUEIOAWKR-HNNXBMFYSA-N |