1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Compound characteristics
| Compound ID: | 7591-0421 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione |
| Molecular Weight: | 583.61 |
| Molecular Formula: | C31 H32 F3 N3 O5 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1)=O)C1(C2=C(CC(C)(C)CC2=O)N(CCc2ccc(c(c2)OC)OC)C1=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0641 |
| logD: | 4.0278 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.176 |
| InChI Key: | GXCVAWSFURCZDL-SSEXGKCCSA-N |