N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8010-8446 |
| Compound Name: | N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 395.2 |
| Molecular Formula: | C12 H10 Br F3 N4 O S |
| Smiles: | Cn1cnnc1SCC(Nc1ccc(cc1C(F)(F)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6971 |
| logD: | 2.6969 |
| logSw: | -3.2677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.184 |
| InChI Key: | YGLXDVDVSGWTSB-UHFFFAOYSA-N |