methyl 2-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-0341 |
| Compound Name: | methyl 2-{2-[(1H-benzimidazol-2-yl)sulfanyl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C23 H27 N3 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(CSc3nc4ccccc4[nH]3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1203 |
| logD: | 3.0956 |
| logSw: | -5.0412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.018 |
| InChI Key: | LGYFBTBJEMCKKG-CYBMUJFWSA-N |