4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzonitrile
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzonitrile
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzonitrile
Compound characteristics
| Compound ID: | 1809-0228 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)benzonitrile |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C26 H22 N2 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(C#N)cc3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1574 |
| logD: | 5.1574 |
| logSw: | -6.0499 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.988 |
| InChI Key: | WXBXSFSCEIBENK-VWLOTQADSA-N |