2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y502-5460 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 478.29 |
| Molecular Formula: | C16 H15 Br F3 N5 O2 S |
| Smiles: | CC1CC(C(F)(F)F)(N(C(CSc2nnc(c3ccc(cc3)[Br])n2C)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0759 |
| logD: | 3.0759 |
| logSw: | -3.0305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.519 |
| InChI Key: | YUBLSOUHPGFIBK-HNNXBMFYSA-N |