3-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
3-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P218-0401 |
| Compound Name: | 3-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C22 H20 N4 O |
| Smiles: | Cc1cccc(c1)c1cc2CN(CCCn2n1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0316 |
| logD: | 3.0316 |
| logSw: | -2.9783 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.473 |
| InChI Key: | PKJFOTNNLOQJHE-UHFFFAOYSA-N |