N-(2-chloro-4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0096 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 358.85 |
| Molecular Formula: | C17 H15 Cl N4 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4795 |
| logD: | 2.2878 |
| logSw: | -3.8435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.925 |
| InChI Key: | IVUFPIOOLNLJMG-UHFFFAOYSA-N |