5-[2-(benzyloxy)-5-bromophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[2-(benzyloxy)-5-bromophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[2-(benzyloxy)-5-bromophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0031 |
| Compound Name: | 5-[2-(benzyloxy)-5-bromophenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 538.48 |
| Molecular Formula: | C32 H28 Br N O2 |
| Smiles: | CC1(C)CC2=C(C(c3cc(ccc3OCc3ccccc3)[Br])Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.123 |
| logD: | 8.123 |
| logSw: | -7.0436 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.246 |
| InChI Key: | NUEHIRZXTCZPQD-HKBQPEDESA-N |