2,2-dimethyl-5-{2-[(propan-2-yl)oxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-{2-[(propan-2-yl)oxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-{2-[(propan-2-yl)oxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8007-4989 |
| Compound Name: | 2,2-dimethyl-5-{2-[(propan-2-yl)oxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C28 H29 N O2 |
| Smiles: | CC(C)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.299 |
| logD: | 6.299 |
| logSw: | -6.8761 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.821 |
| InChI Key: | AYOZLLGXNVACTQ-MHZLTWQESA-N |