4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V013-6218 |
| Compound Name: | 4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 479.99 |
| Molecular Formula: | C24 H22 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4616 |
| logD: | 3.4616 |
| logSw: | -3.9585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.01 |
| InChI Key: | GUCSIRFJQCXFKA-UHFFFAOYSA-N |