5-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
5-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
5-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7155 |
| Compound Name: | 5-[(4-bromo-1-methyl-1H-pyrazol-5-yl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 371.25 |
| Molecular Formula: | C13 H15 Br N4 O2 S |
| Smiles: | Cn1c(\C=C2/C(N(CC3CCCO3)C(=N2)S)=O)c(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3865 |
| logD: | -0.3363 |
| logSw: | -1.2896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.39 |
| InChI Key: | PQIHIXPSDHKFKU-MRVPVSSYSA-N |