4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V029-9908 |
| Compound Name: | 4-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide |
| Molecular Weight: | 558.06 |
| Molecular Formula: | C29 H24 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8378 |
| logD: | 4.836 |
| logSw: | -4.8778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.493 |
| InChI Key: | CHQNHQGXOMINNX-UHFFFAOYSA-N |