4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]benzene-1,3-dicarboxylic acid
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 2974-2091 |
| Compound Name: | 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 395.37 |
| Molecular Formula: | C20 H17 N3 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1ccc(cc1C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3178 |
| logD: | -3.1941 |
| logSw: | -2.3092 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.527 |
| InChI Key: | SUTMNHDVFVHROE-UHFFFAOYSA-N |