8,8-dimethyl-2-[(3-methylbutyl)sulfanyl]-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-2-[(3-methylbutyl)sulfanyl]-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-2-[(3-methylbutyl)sulfanyl]-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0915 |
| Compound Name: | 8,8-dimethyl-2-[(3-methylbutyl)sulfanyl]-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CC(C)CCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3037 |
| logD: | 2.2294 |
| logSw: | -4.2837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.004 |
| InChI Key: | GMLTTZGLOHTZJD-GOSISDBHSA-N |