3-(4-acetyl-1,4-diazepane-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-acetyl-1,4-diazepane-1-carbonyl)benzonitrile
3-(4-acetyl-1,4-diazepane-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | Z603-4009 |
| Compound Name: | 3-(4-acetyl-1,4-diazepane-1-carbonyl)benzonitrile |
| Molecular Weight: | 271.32 |
| Molecular Formula: | C15 H17 N3 O2 |
| Smiles: | CC(N1CCCN(CC1)C(c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5495 |
| logD: | 0.5495 |
| logSw: | -1.4435 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.47 |
| InChI Key: | QDHQUZPWCPZVGK-UHFFFAOYSA-N |