5-bromo-2-(difluoromethoxy)-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]benzamide
Chemical Structure Depiction of
5-bromo-2-(difluoromethoxy)-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]benzamide
5-bromo-2-(difluoromethoxy)-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]benzamide
Compound characteristics
| Compound ID: | Y502-6178 |
| Compound Name: | 5-bromo-2-(difluoromethoxy)-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]benzamide |
| Molecular Weight: | 393.21 |
| Molecular Formula: | C12 H11 Br F2 N4 O2 S |
| Smiles: | Cc1nnc(n1NC(c1cc(ccc1OC(F)F)[Br])=O)SC |
| Stereo: | ACHIRAL |
| logP: | 2.1501 |
| logD: | 2.1501 |
| logSw: | -2.9822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.331 |
| InChI Key: | NKZXMHXTJGFMMP-UHFFFAOYSA-N |