8-(2H-1,3-benzodioxol-5-yl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxol-5-yl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
8-(2H-1,3-benzodioxol-5-yl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
Compound characteristics
| Compound ID: | 8012-1281 |
| Compound Name: | 8-(2H-1,3-benzodioxol-5-yl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)Nc3ccc4c(cccn4)c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6112 |
| logD: | 4.6111 |
| logSw: | -4.6242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.082 |
| InChI Key: | IESKUCFVRMSCNB-DEOSSOPVSA-N |