N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0068 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C18 H17 Cl N4 O3 S |
| Smiles: | COc1cc(c(cc1NC(CSc1nnc(c2ccccc2)[nH]1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.0545 |
| logD: | 1.8628 |
| logSw: | -3.6289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.186 |
| InChI Key: | VLJAKKNUFBXFSX-UHFFFAOYSA-N |