3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P218-0574 |
| Compound Name: | 3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]benzonitrile |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Smiles: | COc1ccc(cc1)c1cc2CN(CCCn2n1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7666 |
| logD: | 2.7666 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.017 |
| InChI Key: | PBLNCSKJHKQWEY-UHFFFAOYSA-N |