2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl benzoate
Chemical Structure Depiction of
2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl benzoate
2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl benzoate
Compound characteristics
Compound ID: | 6031-1963 |
Compound Name: | 2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl benzoate |
Molecular Weight: | 475.54 |
Molecular Formula: | C31 H25 N O4 |
Smiles: | COc1cc(ccc1OC(c1ccccc1)=O)C1C2=C(CCCC2=O)c2c(ccc3ccccc23)N1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1878 |
logD: | 6.1878 |
logSw: | -6.9491 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.027 |
InChI Key: | PHUMXRXYEVVIJT-PMERELPUSA-N |