2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]acetamide
2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8014-2573 |
| Compound Name: | 2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C22 H25 Cl N4 O2 S |
| Smiles: | CC(C)c1cc(c(C)c(c1O)NC(CSc1nnc(C)n1Cc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5032 |
| logD: | 4.5021 |
| logSw: | -4.3637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.251 |
| InChI Key: | QLJLNAUVUQHZOS-UHFFFAOYSA-N |