8-amino-5-(2H-1,3-benzodioxol-5-yl)-4-oxo-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-5-(2H-1,3-benzodioxol-5-yl)-4-oxo-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-5-(2H-1,3-benzodioxol-5-yl)-4-oxo-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: | 8009-9264 |
| Compound Name: | 8-amino-5-(2H-1,3-benzodioxol-5-yl)-4-oxo-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: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | C1CCc2c3C(N)=NC4=C(C#N)C(C5=C(CCCC5=O)N4c3sc2CC1)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3063 |
| logD: | -3.7531 |
| logSw: | -4.604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.485 |
| InChI Key: | DHQGHRSBWHATSL-QFIPXVFZSA-N |