ethyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6404-0002 |
| Compound Name: | ethyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 554.68 |
| Molecular Formula: | C28 H30 N2 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C1Cc2ccccc2CN1S(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5378 |
| logD: | 0.7105 |
| logSw: | -5.3822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.186 |
| InChI Key: | XGNMVXVZKGMVQY-QHCPKHFHSA-N |