1-(1-methyl-1H-pyrazol-5-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
Chemical Structure Depiction of
1-(1-methyl-1H-pyrazol-5-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
1-(1-methyl-1H-pyrazol-5-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5265 |
| Compound Name: | 1-(1-methyl-1H-pyrazol-5-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-en-1-one |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | Cn1c(ccn1)C(/C=C/c1ccc(COc2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0858 |
| logD: | 3.0858 |
| logSw: | -3.3165 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.485 |
| InChI Key: | PTPGRNLZUNWAPB-UHFFFAOYSA-N |