5-({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
5-({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
5-({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7156 |
| Compound Name: | 5-({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)-3-[(oxolan-2-yl)methyl]-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | COc1ccc(/C=C2/C(N(CC3CCCO3)C(=N2)S)=O)cc1Cn1ccc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5669 |
| logD: | -0.4872 |
| logSw: | -2.0691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.257 |
| InChI Key: | ZQSZUYFAAIEOIN-OAHLLOKOSA-N |