N-(4-acetylphenyl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-5000 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cc(ccc2OC)[Cl])n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0313 |
| logD: | 3.0311 |
| logSw: | -3.6586 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.657 |
| InChI Key: | IXTNOPPDZIKQFL-UHFFFAOYSA-N |