2-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoic acid
Chemical Structure Depiction of
2-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoic acid
2-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoic acid
Compound characteristics
| Compound ID: | 8006-1635 |
| Compound Name: | 2-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzoic acid |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C26 H23 N O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3C(O)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3057 |
| logD: | 0.9465 |
| logSw: | -6.2511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.34 |
| InChI Key: | QQXTTWFIOGRJJP-DEOSSOPVSA-N |