3-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
3-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 5408-0071 |
| Compound Name: | 3-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C30 H25 N O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c4cccc(c4)C(O)=O)o3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5906 |
| logD: | 3.078 |
| logSw: | -6.675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.739 |
| InChI Key: | DDTIKTBYSDGNFN-NDEPHWFRSA-N |