4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
Chemical Structure Depiction of
4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | E701-0076 |
| Compound Name: | 4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoic acid |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | Cc1cc(C)n(c2c(Nc3ccc(cc3)C(O)=O)nc3ccc(cc3n2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7452 |
| logD: | 2.35 |
| logSw: | -4.5875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.936 |
| InChI Key: | UHTYZLOZBQHSMV-UHFFFAOYSA-N |