butyl 5-(5-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Chemical Structure Depiction of
butyl 5-(5-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
butyl 5-(5-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | 2000-0154 |
| Compound Name: | butyl 5-(5-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate |
| Molecular Weight: | 541.83 |
| Molecular Formula: | C26 H22 Br Cl N2 O4 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)[Br])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6613 |
| logD: | 7.6613 |
| logSw: | -6.4864 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.204 |
| InChI Key: | DAIAOGWGWGWGIV-UHFFFAOYSA-N |