(5-bromo-4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Chemical Structure Depiction of
(5-bromo-4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
(5-bromo-4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Compound characteristics
| Compound ID: | Y500-9104 |
| Compound Name: | (5-bromo-4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid |
| Molecular Weight: | 514.16 |
| Molecular Formula: | C20 H15 Br Cl2 N2 O5 |
| Smiles: | CC1/C(=C/c2cc(c(cc2[Br])OCC(O)=O)OC)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.096 |
| logD: | -0.141 |
| logSw: | -4.0496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.187 |
| InChI Key: | BRCSPOXLQVDZCJ-UHFFFAOYSA-N |