N-(3,4-dimethylphenyl)-4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethylphenyl)-4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V014-8036 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C29 H24 F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc(CSc2nnc(c3ccncc3)n2c2ccccc2F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.635 |
| logD: | 5.6349 |
| logSw: | -5.3292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.931 |
| InChI Key: | LFKYEDZDHZAPKH-UHFFFAOYSA-N |