4-[5,5-dimethyl-3-oxo-2-(trifluoromethyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-yl]-2,6-dimethylphenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-[5,5-dimethyl-3-oxo-2-(trifluoromethyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-yl]-2,6-dimethylphenyl 2-fluorobenzoate
4-[5,5-dimethyl-3-oxo-2-(trifluoromethyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-yl]-2,6-dimethylphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 8014-8847 |
| Compound Name: | 4-[5,5-dimethyl-3-oxo-2-(trifluoromethyl)-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-2-yl]-2,6-dimethylphenyl 2-fluorobenzoate |
| Molecular Weight: | 523.53 |
| Molecular Formula: | C30 H25 F4 N O3 |
| Smiles: | Cc1cc(cc(C)c1OC(c1ccccc1F)=O)C1(C=C2c3ccccc3CC(C)(C)N2C1=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1278 |
| logD: | 7.1278 |
| logSw: | -5.7479 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.634 |
| InChI Key: | SIMRGJPJROWKMZ-LJAQVGFWSA-N |