ethyl 2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
ethyl 2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0449 |
| Compound Name: | ethyl 2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C27 H29 N5 O4 S2 |
| Smiles: | CCOC(c1c(csc1NC(CSC1=NC(=C\c2cnn(C)c2)\C(N1CC(C)C)=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2799 |
| logD: | 4.273 |
| logSw: | -4.1336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.467 |
| InChI Key: | BICFCFBEZCVTAP-UHFFFAOYSA-N |