5-(4-nitrophenyl)-4,8-dioxo-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
5-(4-nitrophenyl)-4,8-dioxo-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
5-(4-nitrophenyl)-4,8-dioxo-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: | 8009-5581 |
| Compound Name: | 5-(4-nitrophenyl)-4,8-dioxo-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: | 472.52 |
| Molecular Formula: | C25 H20 N4 O4 S |
| Smiles: | C1CCc2c(C1)c1C(NC3=C(C#N)C(C4=C(CCCC4=O)N3c1s2)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.997 |
| logD: | 3.9967 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.992 |
| InChI Key: | MMHZOOUCHDYXKR-FQEVSTJZSA-N |