2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V002-6759 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C21 H20 Cl F N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CC(CNC(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1095 |
| logD: | 3.1095 |
| logSw: | -3.7663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.537 |
| InChI Key: | SNDNZYRHPLBKFK-CQSZACIVSA-N |