5-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 6220-0060 |
| Compound Name: | 5-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 462.39 |
| Molecular Formula: | C26 H24 Br N O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[Br])OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0206 |
| logD: | 6.0206 |
| logSw: | -6.9595 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.562 |
| InChI Key: | UNKDCNCZTOGOKI-VWLOTQADSA-N |