methyl 12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthroline-10-carboxylate
Chemical Structure Depiction of
methyl 12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthroline-10-carboxylate
methyl 12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthroline-10-carboxylate
Compound characteristics
| Compound ID: | 8018-9594 |
| Compound Name: | methyl 12-(2H-1,3-benzodioxol-5-yl)-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthroline-10-carboxylate |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C27 H24 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)c3c(ccc4c3cccn4)N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5606 |
| logD: | 4.545 |
| logSw: | -4.4709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.22 |
| InChI Key: | YVHOLQZICOWOJO-UHFFFAOYSA-N |