3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)benzamide
Chemical Structure Depiction of
3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)benzamide
3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)benzamide
Compound characteristics
| Compound ID: | V030-6951 |
| Compound Name: | 3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-fluorophenyl)benzamide |
| Molecular Weight: | 516 |
| Molecular Formula: | C27 H19 Cl F N5 O S |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)C(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccncc2)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6238 |
| logD: | 5.6095 |
| logSw: | -6.012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.232 |
| InChI Key: | IVQJEHLLDATANP-UHFFFAOYSA-N |