3-(4-{[1-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[1-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[1-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3175-0332 |
| Compound Name: | 3-(4-{[1-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | CCOC(Cn1cc(\C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5865 |
| logD: | 0.7007 |
| logSw: | -3.516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.157 |
| InChI Key: | MMLXQRJLDQQNAL-UHFFFAOYSA-N |