ethyl 4,5-dimethyl-2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0447 |
| Compound Name: | ethyl 4,5-dimethyl-2-[2-({1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C23 H29 N5 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSC1=NC(=C\c2cnn(C)c2)\C(N1CC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4003 |
| logD: | 1.5288 |
| logSw: | -3.8175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.739 |
| InChI Key: | NXLYXWJEDCTTMI-UHFFFAOYSA-N |