3-[4-({3-bromo-4-[(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)oxy]-5-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-({3-bromo-4-[(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)oxy]-5-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-({3-bromo-4-[(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)oxy]-5-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y510-4824 |
| Compound Name: | 3-[4-({3-bromo-4-[(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)oxy]-5-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 635.86 |
| Molecular Formula: | C29 H20 Br Cl N4 O6 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)[Br])OC2C=NN(C(C=2[Cl])=O)c2ccccc2)OC)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5562 |
| logD: | 2.6704 |
| logSw: | -5.8057 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.765 |
| InChI Key: | HPSLNAAQTYGJHM-UHFFFAOYSA-N |