4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-6051 |
| Compound Name: | 4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C28 H24 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2ccncc2)nnc1SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4711 |
| logD: | 3.4677 |
| logSw: | -3.6891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.982 |
| InChI Key: | RONWTRJEJAKRHQ-UHFFFAOYSA-N |