methyl 3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propanoate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propanoate
methyl 3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propanoate
Compound characteristics
Compound ID: | 8009-3002 |
Compound Name: | methyl 3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propanoate |
Molecular Weight: | 312.25 |
Molecular Formula: | C14 H11 F3 N2 O3 |
Smiles: | CC1/C(=C(/C(=O)OC)C(F)(F)F)C(N(c2ccccc2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 2.4369 |
logD: | 2.4369 |
logSw: | -2.3725 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.032 |
InChI Key: | UOFNXKCTHAQBME-UHFFFAOYSA-N |