2-chloro-5-[4-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4588-0028 |
| Compound Name: | 2-chloro-5-[4-({3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C23 H19 Cl N2 O5 |
| Smiles: | CCOc1cc(\C=C2/C(C)=NN(C2=O)c2ccc(c(c2)C(O)=O)[Cl])ccc1OCC#C |
| Stereo: | ACHIRAL |
| logP: | 3.7207 |
| logD: | -0.0824 |
| logSw: | -3.9297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.71 |
| InChI Key: | LBQFXFJLAXNXNX-UHFFFAOYSA-N |