5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(4-fluorophenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(4-fluorophenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(4-fluorophenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7153 |
| Compound Name: | 5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(4-fluorophenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C20 H16 F N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(\C=C3/C(N(C(=N3)S)c3ccc(cc3)F)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9616 |
| logD: | -0.2003 |
| logSw: | -3.2699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.201 |
| InChI Key: | VNFLPIKNWRQFSP-UHFFFAOYSA-N |