N-[(2,5-dimethylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(2,5-dimethylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0571 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C25 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCc4cc(C)ccc4C)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2315 |
| logD: | 4.2313 |
| logSw: | -4.1011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | QSBVRJYWDNSUQZ-UHFFFAOYSA-N |