5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0451 |
| Compound Name: | 5-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 568.51 |
| Molecular Formula: | C33 H30 Br N O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)[Br])OCc3ccccc3)OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6773 |
| logD: | 7.6773 |
| logSw: | -7.0595 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.963 |
| InChI Key: | SRDJFFCEZRFJKF-HKBQPEDESA-N |