2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(thiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Chemical Structure Depiction of
2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(thiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(thiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | IB08-3567 |
| Compound Name: | 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(thiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | COc1ccc(CCn2c(c(C(NCc3cccs3)=O)c3c2nc2ccccc2n3)N)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 3.8 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 135.46 |
| InChI Key: | ZMWJLDBCTBERJQ-UHFFFAOYSA-N |