2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J015-0423 |
| Compound Name: | 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 374.85 |
| Molecular Formula: | C17 H15 Cl N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(COc1ccc(cc1n1cnnc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1036 |
| logD: | 3.1035 |
| logSw: | -3.4651 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | UCXQCANZLPFTGG-UHFFFAOYSA-N |