2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8009-9007 |
| Compound Name: | 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | Cc1ccccc1C1C(C#N)=C2NC(c3c4CCCCCc4sc3N2C2CC(C)(C)CC(C1=2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7919 |
| logD: | 5.7916 |
| logSw: | -5.4201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.941 |
| InChI Key: | UDYTYKJWMGYDSI-QHCPKHFHSA-N |