[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetic acid
Chemical Structure Depiction of
[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetic acid
[4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 3615-0240 |
| Compound Name: | [4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetic acid |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C27 H25 N O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OCC(O)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7926 |
| logD: | 0.5556 |
| logSw: | -5.4868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.815 |
| InChI Key: | ZPHDEPJPUHFYBR-SANMLTNESA-N |