N-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-chloro-4-fluorophenyl)-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: | G542-0864 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 430.84 |
| Molecular Formula: | C21 H17 Cl F2 N4 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(Nc3ccc(cc3[Cl])F)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4097 |
| logD: | 3.0473 |
| logSw: | -3.6908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.775 |
| InChI Key: | KMBYUVWLXANRPR-UHFFFAOYSA-N |