N-(3-chloro-4-methylphenyl)-2-{[5-(3-hydroxynaphthalen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[5-(3-hydroxynaphthalen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[5-(3-hydroxynaphthalen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-3147 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[5-(3-hydroxynaphthalen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(c2cc3ccccc3cc2O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7045 |
| logD: | 5.6847 |
| logSw: | -5.7476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.477 |
| InChI Key: | KYGSQASYJLMAIA-UHFFFAOYSA-N |