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 |