N~2~-[3-(azepan-1-yl)propyl]-5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Chemical Structure Depiction of
N~2~-[3-(azepan-1-yl)propyl]-5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
N~2~-[3-(azepan-1-yl)propyl]-5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Compound characteristics
| Compound ID: | E852-3230 |
| Compound Name: | N~2~-[3-(azepan-1-yl)propyl]-5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide |
| Molecular Weight: | 494.64 |
| Molecular Formula: | C27 H38 N6 O3 |
| Smiles: | Cc1ccc(CNC(C2(C)Cn3c(cc(C(NCCCN4CCCCCC4)=O)n3)C(N2C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1934 |
| logD: | -0.3772 |
| logSw: | -2.8591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.351 |
| InChI Key: | PPEZTCPWEKDYMR-MHZLTWQESA-N |