2-chloro-5-(4-{[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-{[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(4-{[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-4175 |
| Compound Name: | 2-chloro-5-(4-{[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 425.83 |
| Molecular Formula: | C21 H16 Cl N3 O5 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCC#N)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8303 |
| logD: | -0.9728 |
| logSw: | -3.3066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.622 |
| InChI Key: | FLBCLFSDYMNRNR-UHFFFAOYSA-N |