5-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
5-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Compound characteristics
Compound ID: | 8009-4179 |
Compound Name: | 5-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid |
Molecular Weight: | 476.92 |
Molecular Formula: | C26 H21 Cl N2 O5 |
Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
Stereo: | ACHIRAL |
logP: | 4.9101 |
logD: | 1.107 |
logSw: | -4.7485 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.94 |
InChI Key: | XBWJYBWQCRGWCO-UHFFFAOYSA-N |