8-amino-4-oxo-5-(thiophen-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-(thiophen-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-(thiophen-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: | 8009-9009 |
| Compound Name: | 8-amino-4-oxo-5-(thiophen-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: | 446.59 |
| Molecular Formula: | C24 H22 N4 O S2 |
| Smiles: | C1CCc2c3C(N)=NC4=C(C#N)C(C5=C(CCCC5=O)N4c3sc2CC1)c1ccsc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.137 |
| logD: | -3.479 |
| logSw: | -4.5491 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.388 |
| InChI Key: | XALSXUNPICHXGF-IBGZPJMESA-N |