5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1809-0350 |
| Compound Name: | 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 478.39 |
| Molecular Formula: | C26 H24 Br N O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)[Br])O)OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.543 |
| logD: | 5.5019 |
| logSw: | -6.4966 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.041 |
| InChI Key: | IAGJIEMAHFCLSV-DEOSSOPVSA-N |