8-amino-5-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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: | 8009-9006 |
| Compound Name: | 8-amino-5-(2,4-dimethoxyphenyl)-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: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | COc1ccc(C2C(C#N)=C3N=C(c4c5CCCCCc5sc4N3C3CCCC(C2=3)=O)N)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5147 |
| logD: | -3.4208 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.544 |
| InChI Key: | CHMIQJFBKCAUKX-QHCPKHFHSA-N |