N-(1-benzylpiperidin-4-yl)-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-(1-benzylpiperidin-4-yl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(1-benzylpiperidin-4-yl)-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: | G542-0498 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C28 H33 N5 O2 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NC4CCN(CC4)Cc4ccccc4)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1085 |
| logD: | 1.6633 |
| logSw: | -3.2959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.061 |
| InChI Key: | YXGBKAGTHMPOGD-UHFFFAOYSA-N |