N-(3-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(3-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0901 |
| Compound Name: | N-(3-bromophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C21 H18 Br F N4 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(Nc3cccc(c3)[Br])=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5864 |
| logD: | 3.5776 |
| logSw: | -3.6562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.473 |
| InChI Key: | HSTCLFVOKWQKPD-UHFFFAOYSA-N |