4-({[4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-3748 |
| Compound Name: | 4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C28 H24 N6 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccncc2)nnc1SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9858 |
| logD: | 2.9824 |
| logSw: | -3.2796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.526 |
| InChI Key: | BMQONPZHBYBTOK-UHFFFAOYSA-N |