benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Compound characteristics
| Compound ID: | IB08-3551 |
| Compound Name: | benzyl 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate |
| Molecular Weight: | 496.88 |
| Molecular Formula: | C25 H16 Cl F3 N4 O2 |
| Smiles: | C(c1ccccc1)OC(c1c2c(nc3ccccc3n2)n(c2ccc(c(c2)C(F)(F)F)[Cl])c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 6 |
| logD: | 6 |
| logSw: | -6.77 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.54 |
| InChI Key: | XJXGZFZBHRWOLQ-UHFFFAOYSA-N |