5-(6-chloro-2H-1,3-benzodioxol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(6-chloro-2H-1,3-benzodioxol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(6-chloro-2H-1,3-benzodioxol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-8992 |
| Compound Name: | 5-(6-chloro-2H-1,3-benzodioxol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C26 H22 Cl N O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc4c(cc3[Cl])OCO4)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0153 |
| logD: | 6.0153 |
| logSw: | -6.5277 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.047 |
| InChI Key: | MZHUNDCNEGIOGO-VWLOTQADSA-N |