7-(3,4-dimethoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
7-(3,4-dimethoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
Compound characteristics
| Compound ID: | D588-0027 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | Cc1c2C(C3=C(CC(CC3=O)c3ccc(c(c3)OC)OC)Nc2on1)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8178 |
| logD: | 2.4421 |
| logSw: | -4.7222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.7 |
| InChI Key: | HKHSPJOWDWZOOD-UHFFFAOYSA-N |