ethyl 3-{3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
ethyl 3-{3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G426-0756 |
| Compound Name: | ethyl 3-{3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Smiles: | CCN1C(C(CCC(Nc2cccc(c2)C(=O)OCC)=O)=Nc2c(C)nn(c3ccc(C)cc3)c12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1694 |
| logD: | 4.1693 |
| logSw: | -4.1667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.153 |
| InChI Key: | UCYYQMFWOJWKKG-UHFFFAOYSA-N |