N-(5-chloro-2-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7683 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 361.85 |
| Molecular Formula: | C16 H16 Cl N5 O S |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc(C)n1n1cccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3817 |
| logD: | 2.3815 |
| logSw: | -3.3018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.647 |
| InChI Key: | MLJKFEMMQXPACW-UHFFFAOYSA-N |