6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Chemical Structure Depiction of
6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Compound characteristics
| Compound ID: | 5830-0011 |
| Compound Name: | 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C22 H13 N7 O S |
| Smiles: | COc1ccc(cc1)n1c(c(c2c1nc(C#N)c(C#N)n2)c1nc2ccccc2s1)N |
| Stereo: | ACHIRAL |
| logP: | 4.175 |
| logD: | 4.175 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.917 |
| InChI Key: | RTNWTFNKAPICKC-UHFFFAOYSA-N |