3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-3880 |
| Compound Name: | 3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 371.78 |
| Molecular Formula: | C18 H14 Cl N3 O4 |
| Smiles: | CCn1c(ccn1)C(/C=C/c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0598 |
| logD: | 4.0598 |
| logSw: | -4.4867 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.254 |
| InChI Key: | XBKMNRFODCAAEO-UHFFFAOYSA-N |