benzyl 2-amino-1-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-amino-1-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
benzyl 2-amino-1-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Compound characteristics
| Compound ID: | IB08-5368 |
| Compound Name: | benzyl 2-amino-1-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C26 H22 N4 O4 |
| Smiles: | COc1cc(cc(c1)OC)n1c(c(C(=O)OCc2ccccc2)c2c1nc1ccccc1n2)N |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 4.91 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.36 |
| InChI Key: | PVSBHNXGCXHPBN-UHFFFAOYSA-N |