5-[4-(dimethylamino)phenyl]-8,8-dimethyl-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-(dimethylamino)phenyl]-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(dimethylamino)phenyl]-8,8-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0204 |
| Compound Name: | 5-[4-(dimethylamino)phenyl]-8,8-dimethyl-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: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)N(C)C)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9054 |
| logD: | 2.0856 |
| logSw: | -4.135 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.537 |
| InChI Key: | YJVZYFARONZPDH-JOCHJYFZSA-N |