N-[(4-chlorophenyl)methyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(4-chlorophenyl)methyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2115 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-5-[(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(Cc2cccc(c2)F)C(c2cc(C(NCc3ccc(cc3)[Cl])=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2097 |
| logD: | 3.2096 |
| logSw: | -3.6367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | QYEKKOLUMLHUHQ-UHFFFAOYSA-N |