12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
Chemical Structure Depiction of
12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
Compound characteristics
| Compound ID: | 8014-9122 |
| Compound Name: | 12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C25 H22 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)c3c(ccc4c3cccn4)N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7546 |
| logD: | 4.7268 |
| logSw: | -4.8604 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.148 |
| InChI Key: | UDCFQKNUOXREII-QFIPXVFZSA-N |