5-({5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(3-methylphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
5-({5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(3-methylphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
5-({5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(3-methylphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7277 |
| Compound Name: | 5-({5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(3-methylphenyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 443.87 |
| Molecular Formula: | C19 H14 Cl N5 O4 S |
| Smiles: | Cc1cccc(c1)N1C(=NC(=C\c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])o2)\C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.7219 |
| logD: | 0.56 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.735 |
| InChI Key: | YMABOSFPCOISQF-UHFFFAOYSA-N |