methyl 6-tert-butyl-2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3112-5104 |
| Compound Name: | methyl 6-tert-butyl-2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 518.72 |
| Molecular Formula: | C25 H30 N2 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCC(Nc1c(C(=O)OC)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9101 |
| logD: | 4.8854 |
| logSw: | -5.746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.21 |
| InChI Key: | KNBBNVWUIVOBHK-CQSZACIVSA-N |