ethyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-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-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-4780 |
| Compound Name: | ethyl 2-[2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.64 |
| Molecular Formula: | C20 H27 N3 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(C)c(CCSC)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7577 |
| logD: | 1.7331 |
| logSw: | -4.0816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.739 |
| InChI Key: | PBUZLHWMDZKZAZ-UHFFFAOYSA-N |