5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-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-(1,3-dimethyl-1H-pyrazol-4-yl)-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-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7152 |
| Compound Name: | 5-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C19 H19 N7 O4 S |
| Smiles: | Cc1c(cn(C)n1)N1C(=NC(=C\c2ccc(Cn3c(C)c(c(C)n3)[N+]([O-])=O)o2)\C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 1.3378 |
| logD: | -2.1334 |
| logSw: | -1.9352 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.062 |
| InChI Key: | HVBJEJJPMLHLFM-UHFFFAOYSA-N |