N-(4-chloro-2-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-(4-chloro-2-methylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(4-chloro-2-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: | G542-2117 |
| Compound Name: | N-(4-chloro-2-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: | Cc1cc(ccc1NC(c1cc2C(N(CCCn2n1)Cc1cccc(c1)F)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9304 |
| logD: | 3.9178 |
| logSw: | -4.1912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.775 |
| InChI Key: | YMUSPDGSUFSZNH-UHFFFAOYSA-N |