2,2-dimethyl-4,8-dioxo-5-(pyridin-3-yl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
2,2-dimethyl-4,8-dioxo-5-(pyridin-3-yl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
2,2-dimethyl-4,8-dioxo-5-(pyridin-3-yl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8009-7811 |
| Compound Name: | 2,2-dimethyl-4,8-dioxo-5-(pyridin-3-yl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C26 H24 N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C3NC(c4c5CCCCc5sc4N23)=O)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6167 |
| logD: | 3.6165 |
| logSw: | -3.8079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.128 |
| InChI Key: | UIFSFZKRZBZMBE-FQEVSTJZSA-N |