ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | Y502-0603 |
Compound Name: | ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 563.7 |
Molecular Formula: | C28 H29 N5 O4 S2 |
Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1=NC(=C\c2cn(C)nc2C)\C(N1c1ccccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8239 |
logD: | 2.0836 |
logSw: | -4.1057 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.13 |
InChI Key: | AXGWFIUUASJMRV-UHFFFAOYSA-N |