8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0207 |
| Compound Name: | 8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccc(cc2)[N+]([O-])=O)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5207 |
| logD: | 1.5503 |
| logSw: | -3.8229 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.75 |
| InChI Key: | BQSMMSLWMVMLBF-IBGZPJMESA-N |