2-bromo-4-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | Y500-9168 |
| Compound Name: | 2-bromo-4-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 463.71 |
| Molecular Formula: | C20 H16 Br Cl N2 O4 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])OC(C)=O)OC)C(N(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3283 |
| logD: | 4.3283 |
| logSw: | -4.8083 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.142 |
| InChI Key: | LGTBNYSAWVUANP-UHFFFAOYSA-N |