8-amino-5-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | 8009-8120 |
| Compound Name: | 8-amino-5-(4-ethoxyphenyl)-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: | 512.67 |
| Molecular Formula: | C30 H32 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(C#N)=C2N=C(c3c4CCCCCc4sc3N2C2CC(C)(C)CC(C1=2)=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3473 |
| logD: | -1.0682 |
| logSw: | -5.1955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.493 |
| InChI Key: | MCJQFZUEIVKIAX-DEOSSOPVSA-N |