5-[4-(diethylamino)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-[4-(diethylamino)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(diethylamino)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0083 |
| Compound Name: | 5-[4-(diethylamino)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C28 H29 N5 O4 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0204 |
| logD: | 2.5824 |
| logSw: | -4.1095 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.468 |
| InChI Key: | URABBKMTLPXYCO-HSZRJFAPSA-N |