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 |