3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8017-0124 |
| Compound Name: | 3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | Cc1cc(C)n(c2c(Nc3cccc(c3)C(O)=O)nc3ccccc3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3081 |
| logD: | 1.0138 |
| logSw: | -4.3021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.936 |
| InChI Key: | YLKGNCZEORRQHO-UHFFFAOYSA-N |