1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
Chemical Structure Depiction of
1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4990 |
| Compound Name: | 1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | Cc1c(cnn1C)C(/C=C/c1ccc(COc2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3172 |
| logD: | 3.3172 |
| logSw: | -3.5229 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.321 |
| InChI Key: | ICKBIPFMZUBGDC-UHFFFAOYSA-N |