2-(benzylsulfanyl)-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(benzylsulfanyl)-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0189 |
| Compound Name: | 2-(benzylsulfanyl)-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2)c2cc(c(c(c2)OC)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6887 |
| logD: | 1.8689 |
| logSw: | -4.0994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.328 |
| InChI Key: | WQPJXNOQFIYCPB-JOCHJYFZSA-N |