2-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
2-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V004-6388 |
| Compound Name: | 2-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 537.64 |
| Molecular Formula: | C30 H27 N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cccc(c2)OC)nnc1SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1018 |
| logD: | 5.0984 |
| logSw: | -4.8184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.642 |
| InChI Key: | JFHJUFDJZUWGHR-UHFFFAOYSA-N |