4-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
4-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | P803-1838 |
| Compound Name: | 4-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | COc1ccc(cc1)c1cc([nH]n1)N1CCCN(CC1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2803 |
| logD: | 3.2803 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.031 |
| InChI Key: | DZMYEPJGHQENQO-UHFFFAOYSA-N |