8-amino-5-(2,4-dichlorophenyl)-4-oxo-1,3,4,5,9,10,11,12-octahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
8-amino-5-(2,4-dichlorophenyl)-4-oxo-1,3,4,5,9,10,11,12-octahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
8-amino-5-(2,4-dichlorophenyl)-4-oxo-1,3,4,5,9,10,11,12-octahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8009-5583 |
| Compound Name: | 8-amino-5-(2,4-dichlorophenyl)-4-oxo-1,3,4,5,9,10,11,12-octahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 495.43 |
| Molecular Formula: | C25 H20 Cl2 N4 O S |
| Smiles: | C1CCc2c(C1)c1C(N)=NC3=C(C#N)C(C4=C(CCCC4=O)N3c1s2)c1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5181 |
| logD: | -2.2641 |
| logSw: | -6.2456 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.038 |
| InChI Key: | VCWPCKGOZQJHCZ-HXUWFJFHSA-N |