ethyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-6774 |
| Compound Name: | ethyl 2-(2-{[4-methyl-5-(2-methylpropyl)-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: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(C)c(CC(C)C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4203 |
| logD: | 2.3956 |
| logSw: | -4.2098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.739 |
| InChI Key: | JRQXFYLTYCHTEY-UHFFFAOYSA-N |