N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y205-9813 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 312.78 |
| Molecular Formula: | C12 H13 Cl N4 O2 S |
| Smiles: | Cn1cnnc1SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4486 |
| logD: | 1.445 |
| logSw: | -2.8182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.814 |
| InChI Key: | HSMMNDSQXJYMQL-UHFFFAOYSA-N |