heptyl 2-amino-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Chemical Structure Depiction of
heptyl 2-amino-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
heptyl 2-amino-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Compound characteristics
| Compound ID: | IB07-1940 |
| Compound Name: | heptyl 2-amino-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C27 H32 N4 O3 |
| Smiles: | CCCCCCCOC(c1c2c(nc3ccccc3n2)n(CCc2ccc(cc2)OC)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.38 |
| logD: | 6.38 |
| logSw: | -6.37 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.02 |
| InChI Key: | UHDYXIGIQMGTHE-UHFFFAOYSA-N |