2-(benzylsulfanyl)-N-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0399 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C19 H16 F N5 O2 S |
| Smiles: | C1C(C(Nc2ccc(cc2)F)=O)n2c(NC1=O)nc(n2)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5149 |
| logD: | 2.5146 |
| logSw: | -2.8433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.124 |
| InChI Key: | BUGGCFPVDOGCPJ-HNNXBMFYSA-N |