4,8-dioxo-5-(pyridin-3-yl)-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
4,8-dioxo-5-(pyridin-3-yl)-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
4,8-dioxo-5-(pyridin-3-yl)-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: | 8009-5582 |
| Compound Name: | 4,8-dioxo-5-(pyridin-3-yl)-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: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | C1CCc2c3C(NC4=C(C#N)C(C5=C(CCCC5=O)N4c3sc2CC1)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4876 |
| logD: | 3.4874 |
| logSw: | -3.9053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.459 |
| InChI Key: | FAGXSGLUEVGTJU-FQEVSTJZSA-N |