4-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
4-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V025-3711 |
| Compound Name: | 4-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C29 H25 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(c1ccc(CSc2nnc(c3ccncc3)n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8824 |
| logD: | 4.8809 |
| logSw: | -4.4544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.032 |
| InChI Key: | XCLDUTVPKXBVSO-UHFFFAOYSA-N |