5-benzyl-N-[(2-bromophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-[(2-bromophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-[(2-bromophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
Compound ID: | G542-0194 |
Compound Name: | 5-benzyl-N-[(2-bromophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
Molecular Weight: | 453.34 |
Molecular Formula: | C22 H21 Br N4 O2 |
Smiles: | C1CN(Cc2ccccc2)C(c2cc(C(NCc3ccccc3[Br])=O)nn2C1)=O |
Stereo: | ACHIRAL |
logP: | 3.3648 |
logD: | 3.3648 |
logSw: | -3.4658 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.795 |
InChI Key: | MCSDGMBGQHAEKW-UHFFFAOYSA-N |