5-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
5-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8009-3977 |
| Compound Name: | 5-(4-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 428.83 |
| Molecular Formula: | C21 H17 Cl N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OC(C)=O)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2826 |
| logD: | -0.5205 |
| logSw: | -3.6306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.463 |
| InChI Key: | FAODMCPATXJCIF-UHFFFAOYSA-N |