4-{4-[(1H-indol-3-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{4-[(1H-indol-3-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
4-{4-[(1H-indol-3-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 4410-3731 |
| Compound Name: | 4-{4-[(1H-indol-3-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C20 H15 N3 O3 |
| Smiles: | CC1/C(=C/c2c[nH]c3ccccc23)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.505 |
| logD: | 1.1098 |
| logSw: | -3.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.866 |
| InChI Key: | MYWPOPCUGRJXFC-UHFFFAOYSA-N |