2-cyclohexyl-N-[3-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
Chemical Structure Depiction of
2-cyclohexyl-N-[3-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
2-cyclohexyl-N-[3-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
Compound characteristics
| Compound ID: | G211-0174 |
| Compound Name: | 2-cyclohexyl-N-[3-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-9-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(c1c2CN(C3CCCCC3)C(c2nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2784 |
| logD: | 5.278 |
| logSw: | -5.459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.555 |
| InChI Key: | BOXMIXZUNKFLEK-UHFFFAOYSA-N |