N-(3-chloro-4-methylphenyl)-2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamide
N-(3-chloro-4-methylphenyl)-2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D084-0507 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 324.79 |
| Molecular Formula: | C13 H13 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1c(C)nnc(n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4682 |
| logD: | 2.461 |
| logSw: | -3.0919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.424 |
| InChI Key: | GYLSTUHTKRNJIW-UHFFFAOYSA-N |