ethyl 4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
ethyl 4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | E701-0023 |
| Compound Name: | ethyl 4-{[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c(nc2cc(ccc2n1)[Cl])n1c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4984 |
| logD: | 5.4975 |
| logSw: | -5.9151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.282 |
| InChI Key: | VTVKGERHPAUPJO-UHFFFAOYSA-N |