9-cyano-11-(2,2-dimethylpropanoyl)-10-(pyridin-3-yl)-8a,9,10,11-tetrahydropyrrolo[1,2-a][1,10]phenanthroline-9-carboxamide
Chemical Structure Depiction of
9-cyano-11-(2,2-dimethylpropanoyl)-10-(pyridin-3-yl)-8a,9,10,11-tetrahydropyrrolo[1,2-a][1,10]phenanthroline-9-carboxamide
9-cyano-11-(2,2-dimethylpropanoyl)-10-(pyridin-3-yl)-8a,9,10,11-tetrahydropyrrolo[1,2-a][1,10]phenanthroline-9-carboxamide
Compound characteristics
| Compound ID: | 8018-4754 |
| Compound Name: | 9-cyano-11-(2,2-dimethylpropanoyl)-10-(pyridin-3-yl)-8a,9,10,11-tetrahydropyrrolo[1,2-a][1,10]phenanthroline-9-carboxamide |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C27 H25 N5 O2 |
| Smiles: | CC(C)(C)C(C1C(c2cccnc2)C(C#N)(C2C=Cc3ccc4cccnc4c3N12)C(N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0159 |
| logD: | 3.0142 |
| logSw: | -2.9677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.294 |
| InChI Key: | ACFOUEMSIKFSGZ-UHFFFAOYSA-N |