3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-3871 |
| Compound Name: | 3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 385.81 |
| Molecular Formula: | C19 H16 Cl N3 O4 |
| Smiles: | CCn1cc(C(\C=C/c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1135 |
| logD: | 4.1135 |
| logSw: | -4.5865 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.02 |
| InChI Key: | WHRSRQAKKQKULI-UHFFFAOYSA-N |