4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-6383 |
| Compound Name: | 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 406.73 |
| Molecular Formula: | C13 H9 Cl F6 N2 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1)=O)SC(C(OC(F)(F)F)(F)[Cl])(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.691 |
| logD: | 2.0458 |
| logSw: | -4.9124 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.389 |
| InChI Key: | WUNBXKBWLNWSOT-LLVKDONJSA-N |