methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanoate
Chemical Structure Depiction of
methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanoate
methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanoate
Compound characteristics
| Compound ID: | 8009-8019 |
| Compound Name: | methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanoate |
| Molecular Weight: | 479.48 |
| Molecular Formula: | C22 H20 F3 N3 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1)=O)C(C(=O)OC)(C(F)(F)F)SCC(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6036 |
| logD: | 3.5668 |
| logSw: | -3.8005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.941 |
| InChI Key: | SOFYRYOXIHPIQE-OAQYLSRUSA-N |