methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8007-7482 |
| Compound Name: | methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 514.5 |
| Molecular Formula: | C27 H25 F3 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)N2c2ccccc2C(F)(F)F)C(=O)OC)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6387 |
| logD: | 4.6387 |
| logSw: | -4.8019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.309 |
| InChI Key: | OAEPBKKFUZHZKL-NRFANRHFSA-N |