N-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
N-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | G865-0039 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 298.79 |
| Molecular Formula: | C12 H14 N4 O S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)NC(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7266 |
| logD: | 1.372 |
| logSw: | -2.5184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.542 |
| InChI Key: | NWYYUSCWNWEADA-UHFFFAOYSA-N |