2-amino-1-{(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino}-N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Chemical Structure Depiction of
2-amino-1-{(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino}-N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
2-amino-1-{(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino}-N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | IB08-6789 |
| Compound Name: | 2-amino-1-{(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino}-N-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
| Molecular Weight: | 545.39 |
| Molecular Formula: | C26 H21 Br N6 O3 |
| Smiles: | COc1ccc(CNC(c2c3c(nc4ccccc4n3)n(c2N)/N=C/c2cc(ccc2O)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.48 |
| logD: | 4.35 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 170.33 |
| InChI Key: | XGPVFONKOYLPLY-UHFFFAOYSA-N |