4-({[4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
4-({[4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | 8018-6586 |
| Compound Name: | 4-({[4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide |
| Molecular Weight: | 642.73 |
| Molecular Formula: | C34 H34 N4 O7 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(c(c1)OC)OC)SCc1ccc(cc1)C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7274 |
| logD: | 4.7257 |
| logSw: | -4.5851 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.586 |
| InChI Key: | DETMDXHEAGAGHT-UHFFFAOYSA-N |