3-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepane-1-carbonyl]benzonitrile
3-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | P803-0024 |
| Compound Name: | 3-[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepane-1-carbonyl]benzonitrile |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C22 H21 N5 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccccc2)n[nH]1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0755 |
| logD: | 3.0755 |
| logSw: | -3.2817 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.488 |
| InChI Key: | OOJUMZUUDYQTGG-UHFFFAOYSA-N |