N-[(4-fluorophenyl)methyl]-3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-0273 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C28 H21 F2 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)NC(c1cccc(CSc2nnc(c3ccncc3)n2c2ccc(cc2)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 4.7098 |
| logSw: | -4.6574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.554 |
| InChI Key: | FQNKIJPKAYIZBZ-UHFFFAOYSA-N |