8-amino-5-(2,3-dimethoxyphenyl)-2,2-dimethyl-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-(2,3-dimethoxyphenyl)-2,2-dimethyl-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-(2,3-dimethoxyphenyl)-2,2-dimethyl-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: | 8009-7633 |
| Compound Name: | 8-amino-5-(2,3-dimethoxyphenyl)-2,2-dimethyl-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: | 528.67 |
| Molecular Formula: | C30 H32 N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C3N=C(c4c5CCCCCc5sc4N23)N)c2cccc(c2OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0137 |
| logD: | -1.2779 |
| logSw: | -4.7934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.717 |
| InChI Key: | KPWWRSHOXPVWIR-QHCPKHFHSA-N |