methyl 4-{[6,7-dichloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6,7-dichloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
methyl 4-{[6,7-dichloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | 8017-7296 |
| Compound Name: | methyl 4-{[6,7-dichloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}benzoate |
| Molecular Weight: | 442.3 |
| Molecular Formula: | C21 H17 Cl2 N5 O2 |
| Smiles: | Cc1cc(C)n(c2c(Nc3ccc(cc3)C(=O)OC)nc3cc(c(cc3n2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6794 |
| logD: | 5.6785 |
| logSw: | -6.0991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.702 |
| InChI Key: | DXYBQSIYNVUPTM-UHFFFAOYSA-N |