3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid
3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | C301-2101 |
| Compound Name: | 3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | Cc1ccc(cc1Nc1c(nc2ccccc2n1)n1c(C)cc(C)n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4063 |
| logD: | 1.5305 |
| logSw: | -4.2145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.239 |
| InChI Key: | LQBPMIKMXMLOOL-UHFFFAOYSA-N |