5-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
5-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 3989-0036 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C26 H23 N O3 |
| Smiles: | CC1(C)CC2C(c3ccc4c(c3)OCO4)Nc3ccc4ccccc4c3C=2C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5275 |
| logD: | 5.5275 |
| logSw: | -6.8362 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.047 |
| InChI Key: | LHXPQLNFYQHLEE-VWLOTQADSA-N |