methyl 6-tert-butyl-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2884-3721 |
| Compound Name: | methyl 6-tert-butyl-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 421.58 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(CSc3nccn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0334 |
| logD: | 2.0088 |
| logSw: | -4.1811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.924 |
| InChI Key: | VKKXXWFERRRPEA-GFCCVEGCSA-N |