butyl 2-chloro-5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
butyl 2-chloro-5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | C301-3583 |
| Compound Name: | butyl 2-chloro-5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])Nc1c(nc2ccccc2n1)n1c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4014 |
| logD: | 6.4011 |
| logSw: | -6.2234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.576 |
| InChI Key: | GZNJAUANSSMWIH-UHFFFAOYSA-N |