N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-benzyl-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-benzyl-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-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0107 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | C1CN(Cc2ccccc2)C(c2cc(C(NCc3ccc4c(c3)OCO4)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4059 |
| logD: | 2.4059 |
| logSw: | -2.9144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.91 |
| InChI Key: | ZFAKCEMXHRHNOJ-UHFFFAOYSA-N |