ethyl ({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
ethyl ({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y502-0438 |
| Compound Name: | ethyl ({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C16 H22 N4 O4 S |
| Smiles: | CCOC(CSC1=NC(=C\c2cnn(C)c2)\C(N1CCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9301 |
| logD: | 0.9301 |
| logSw: | -1.4195 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.793 |
| InChI Key: | PVWCDAOGPSINFL-UHFFFAOYSA-N |