3-{5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
3-{5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5425 |
| Compound Name: | 3-{5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 387.78 |
| Molecular Formula: | C18 H14 Cl N3 O5 |
| Smiles: | Cn1c(ccn1)C(/C=C/c1ccc(COc2ccc(cc2[N+]([O-])=O)[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3913 |
| logD: | 3.3913 |
| logSw: | -3.8823 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.271 |
| InChI Key: | SJOJTIBJUSOISZ-UHFFFAOYSA-N |