3-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
3-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
3-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V014-0409 |
| Compound Name: | 3-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccncc2)nnc1SCc1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2186 |
| logD: | 3.2186 |
| logSw: | -3.0789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.2 |
| InChI Key: | BNUHOMRWNPVVFE-UHFFFAOYSA-N |