4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V005-0702 |
| Compound Name: | 4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2cccc(c2)OC)nnc1SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1232 |
| logD: | 3.1198 |
| logSw: | -3.2618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.71 |
| InChI Key: | OXZUQGKIHZXBOH-IBGZPJMESA-N |