methyl 2-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0460 |
| Compound Name: | methyl 2-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C24 H29 N5 O5 S2 |
| Smiles: | Cn1cc(\C=C2/C(N(CCCOC)C(=N2)SCC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4285 |
| logD: | 0.5977 |
| logSw: | -2.6579 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.401 |
| InChI Key: | MMSGKJIWWMFTNI-UHFFFAOYSA-N |