5-(4-methoxyphenyl)-2,2-dimethyl-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
5-(4-methoxyphenyl)-2,2-dimethyl-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
5-(4-methoxyphenyl)-2,2-dimethyl-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: | 8009-7812 |
| Compound Name: | 5-(4-methoxyphenyl)-2,2-dimethyl-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: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C3NC(c4c5CCCCCc5sc4N23)=O)c2ccc(cc2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1746 |
| logD: | 5.1743 |
| logSw: | -5.0007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.485 |
| InChI Key: | JTOGBWFWZMSAIG-QHCPKHFHSA-N |