5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2144-0654 |
| Compound Name: | 5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 490.44 |
| Molecular Formula: | C28 H28 Br N O2 |
| Smiles: | CC(C)Oc1ccc(cc1C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0828 |
| logD: | 7.0828 |
| logSw: | -7.0118 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.821 |
| InChI Key: | RXHXILJGFGQWFX-MHZLTWQESA-N |