diethyl 5-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y502-0589 |
| Compound Name: | diethyl 5-[2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 577.68 |
| Molecular Formula: | C25 H31 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSC1=NC(=C\c2cnn(C)c2)\C(N1CCCOC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2788 |
| logD: | 0.6234 |
| logSw: | -2.5829 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.814 |
| InChI Key: | ZRQMNCRFLUQHCN-UHFFFAOYSA-N |