2,2-dimethyl-5-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indol-3-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indol-3-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indol-3-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 3951-0155 |
| Compound Name: | 2,2-dimethyl-5-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-indol-3-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 550.62 |
| Molecular Formula: | C35 H29 F3 N2 O |
| Smiles: | CC1(C)CC2=C(C(c3cn(Cc4cccc(c4)C(F)(F)F)c4ccccc34)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9894 |
| logD: | 7.9894 |
| logSw: | -6.8862 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.6639 |
| InChI Key: | XOIUHJDYTMRWFG-XIFFEERXSA-N |