2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]propanoic acid
Chemical Structure Depiction of
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]propanoic acid
2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]propanoic acid
Compound characteristics
| Compound ID: | 8010-0713 |
| Compound Name: | 2-[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]propanoic acid |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C29 H29 N O5 |
| Smiles: | CC(C(O)=O)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1625 |
| logD: | 1.1632 |
| logSw: | -6.0011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.846 |
| InChI Key: | MVQJAKADNXIHCW-UHFFFAOYSA-N |