5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1015 |
| Compound Name: | 5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2cccc(c2)[N+]([O-])=O)c2cccc(c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0419 |
| logD: | 2.2221 |
| logSw: | -4.3001 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.276 |
| InChI Key: | ZMMMMBBWOYVPTB-OAQYLSRUSA-N |