3-butyl-5-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
3-butyl-5-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
3-butyl-5-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | Y501-7278 |
| Compound Name: | 3-butyl-5-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | CCCCN1C(=NC(=C/c2ccc(c(Cn3c(C)c(c(C)n3)[N+]([O-])=O)c2)OC)\C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.2891 |
| logD: | 1.235 |
| logSw: | -3.5326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | JYSULGJDFIWCFI-UHFFFAOYSA-N |