5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8005-2446 |
| Compound Name: | 5-(5-bromo-2-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C25 H22 Br N O2 |
| Smiles: | CC1(C)CC2=C(C(c3cc(ccc3O)[Br])Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1434 |
| logD: | 6.1426 |
| logSw: | -6.5912 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.48 |
| InChI Key: | PJXIQRBEKIUKFA-DEOSSOPVSA-N |