N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-6997 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C32 H30 N4 O5 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1OC)SCc1ccc(cc1)C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3153 |
| logD: | 5.3135 |
| logSw: | -5.2874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.938 |
| InChI Key: | KIQKKBWWTHICQO-UHFFFAOYSA-N |