methyl 6-methyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6178-0052 |
| Compound Name: | methyl 6-methyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(CC3C(Nc4ccccc4N3)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3509 |
| logD: | 0.4191 |
| logSw: | -3.809 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.136 |
| InChI Key: | FQDDXDFQANSHAW-UHFFFAOYSA-N |