4-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
4-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V025-2316 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3,4-dimethoxyphenyl)benzamide |
| Molecular Weight: | 571.1 |
| Molecular Formula: | C31 H27 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2[Cl])nnc1SCc1ccc(cc1)C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0687 |
| logD: | 6.067 |
| logSw: | -5.8411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.764 |
| InChI Key: | XRTBOKVAKBUOTB-UHFFFAOYSA-N |