4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl acetate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 8006-4039 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl acetate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C28 H27 N O4 |
| Smiles: | CC(=O)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1777 |
| logD: | 5.1777 |
| logSw: | -6.3113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.4 |
| InChI Key: | CXBANNODYSUWHE-MHZLTWQESA-N |