ethyl 2-{[2-(4-methylbenzene-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-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6404-0001 |
| Compound Name: | ethyl 2-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 538.68 |
| Molecular Formula: | C28 H30 N2 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C1Cc2ccccc2CN1S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9788 |
| logD: | 1.1515 |
| logSw: | -5.4567 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.642 |
| InChI Key: | IXJNZIFVLNEMQT-QHCPKHFHSA-N |