ethyl 2-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-3224 |
| Compound Name: | ethyl 2-{2-[(5-butyl-4-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 435.61 |
| Molecular Formula: | C21 H29 N3 O3 S2 |
| Smiles: | CCCCc1c(C)nc([nH]1)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5507 |
| logD: | 2.526 |
| logSw: | -4.4162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.739 |
| InChI Key: | AMJDVYXCTONVBD-UHFFFAOYSA-N |