2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-9766 |
| Compound Name: | 2-({[4-(2-methoxyphenyl)-5-(pyridin-3-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: | COc1ccccc1n1c(c2cccnc2)nnc1SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3553 |
| logD: | 3.3511 |
| logSw: | -3.6103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.401 |
| InChI Key: | VFGVAXRZJNZWEZ-UHFFFAOYSA-N |