8-amino-4-oxo-5-(pyridin-3-yl)-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
8-amino-4-oxo-5-(pyridin-3-yl)-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
8-amino-4-oxo-5-(pyridin-3-yl)-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8009-8125 |
| Compound Name: | 8-amino-4-oxo-5-(pyridin-3-yl)-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | C1CCc2c3C(N)=NC4=C(C#N)C(C5=C(CCCC5=O)N4c3sc2CC1)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2737 |
| logD: | -4.3423 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.887 |
| InChI Key: | KBAYSIWVNPHRMR-FQEVSTJZSA-N |