butyl 2-chloro-5-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0528 |
| Compound Name: | butyl 2-chloro-5-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C26 H23 Cl N2 O4 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(C)=NN(C2=O)c2ccccc2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7414 |
| logD: | 6.7414 |
| logSw: | -6.2727 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.204 |
| InChI Key: | DEUIXJQTNNMKTP-UHFFFAOYSA-N |