N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)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: | G542-0447 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C24 H24 N4 O4 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCc4ccc5c(c4)OCO5)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8293 |
| logD: | 2.8293 |
| logSw: | -3.1882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.91 |
| InChI Key: | PSPQXRLSBDXSJK-UHFFFAOYSA-N |