2-amino-1-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Chemical Structure Depiction of
2-amino-1-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
2-amino-1-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | IB07-2018 |
| Compound Name: | 2-amino-1-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
| Molecular Weight: | 471.61 |
| Molecular Formula: | C27 H33 N7 O |
| Smiles: | CCCCCCCNC(c1c2c(nc3ccccc3n2)n(c1N)/N=C/c1ccc(cc1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 5.01 |
| logSw: | -6.04 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 134.07 |
| InChI Key: | JKHJZDMVBKOOSH-UHFFFAOYSA-N |