propan-2-yl 2-[2-({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[2-({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9511 |
| Compound Name: | propan-2-yl 2-[2-({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C25 H31 N5 O4 S2 |
| Smiles: | CCN1C(=NC(=C\c2cnn(C)c2C)\C1=O)SCC(Nc1c(C(=O)OC(C)C)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7108 |
| logD: | 1.8801 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.741 |
| InChI Key: | UNDXNHPBRICKOK-UHFFFAOYSA-N |