3-(4-{[3-bromo-4-(cyanomethoxy)-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-(cyanomethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y510-7341 |
| Compound Name: | 3-(4-{[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 470.28 |
| Molecular Formula: | C21 H16 Br N3 O5 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])OCC#N)OC)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.545 |
| logD: | 0.6587 |
| logSw: | -3.64 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.71 |
| InChI Key: | OKDBOURCRXHODZ-UHFFFAOYSA-N |