2-chloro-5-[4-({3-methoxy-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-methoxy-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-methoxy-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: | 4588-0232 |
| Compound Name: | 2-chloro-5-[4-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C22 H17 Cl N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCC#C)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5751 |
| logD: | -0.228 |
| logSw: | -3.8225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.13 |
| InChI Key: | CNXMEUZFQWUKLZ-UHFFFAOYSA-N |