3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-1364 |
| Compound Name: | 3-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C30 H27 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1cccc(c1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1596 |
| logD: | 4.1562 |
| logSw: | -4.3403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.074 |
| InChI Key: | YYMPIJXGIMVQMB-UHFFFAOYSA-N |