5-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-1327 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C22 H20 Cl F N4 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)[Cl])C(c2cc(C(NCc3cccc(c3)F)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2516 |
| logD: | 3.2515 |
| logSw: | -3.5998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | CJIYFVNUSCUKAX-UHFFFAOYSA-N |