N-(3-chloro-2-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
N-(3-chloro-2-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-5930 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 319.21 |
| Molecular Formula: | C11 H11 Cl N4 O S |
| Salt: | HCl |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5465 |
| logD: | 1.192 |
| logSw: | -2.5972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.844 |
| InChI Key: | DJLYOCFGAANLGB-UHFFFAOYSA-N |