6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Chemical Structure Depiction of
6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Compound characteristics
| Compound ID: | 4358-0098 |
| Compound Name: | 6-amino-7-(1,3-benzothiazol-2-yl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C25 H19 N7 O2 S |
| Smiles: | COc1ccc(CCn2c(c(c3c2nc(C#N)c(C#N)n3)c2nc3ccccc3s2)N)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0651 |
| logD: | 4.0648 |
| logSw: | -4.4672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.869 |
| InChI Key: | IILZCNBOGOOASW-UHFFFAOYSA-N |