N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(3-chloro-4-methylphenyl)-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: | G542-2149 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-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: | Cc1ccc(cc1[Cl])NC(c1cc2C(N(CCCn2n1)Cc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2617 |
| logD: | 4.25 |
| logSw: | -4.4376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.473 |
| InChI Key: | YQRNPHAWLSVOJM-UHFFFAOYSA-N |