methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5310-0875 |
| Compound Name: | methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | Cc1cc2c(cc1C)NC(C(CC(Nc1c(C(=O)OC)c3CCCCc3s1)=O)N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7417 |
| logD: | 0.8099 |
| logSw: | -4.1848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.136 |
| InChI Key: | MMCYDJBOWKVCLZ-INIZCTEOSA-N |