4-[(1,1,2,3,3,3-hexafluoropropyl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(1,1,2,3,3,3-hexafluoropropyl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(1,1,2,3,3,3-hexafluoropropyl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-6413 |
| Compound Name: | 4-[(1,1,2,3,3,3-hexafluoropropyl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 370.31 |
| Molecular Formula: | C14 H12 F6 N2 O S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)SC(C(C(F)(F)F)F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.451 |
| logD: | 3.451 |
| logSw: | -3.7439 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.4206 |
| InChI Key: | QQSNXCCQBJRRGW-LBPRGKRZSA-N |