8-amino-2,2-dimethyl-4-oxo-5-(thiophen-2-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-2,2-dimethyl-4-oxo-5-(thiophen-2-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-2,2-dimethyl-4-oxo-5-(thiophen-2-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: | 8009-7814 |
| Compound Name: | 8-amino-2,2-dimethyl-4-oxo-5-(thiophen-2-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: | 474.65 |
| Molecular Formula: | C26 H26 N4 O S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C3N=C(c4c5CCCCCc5sc4N23)N)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6836 |
| logD: | -2.0076 |
| logSw: | -4.6673 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.388 |
| InChI Key: | TWARSUXHPCHVJJ-HXUWFJFHSA-N |