3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-8441 |
| Compound Name: | 3-({[4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C27 H23 N5 O S2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2cccs2)nnc1SCc1cccc(c1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6238 |
| logD: | 4.6204 |
| logSw: | -4.3047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.271 |
| InChI Key: | NDBIYWPMDBKWNJ-UHFFFAOYSA-N |