3-cyano-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzamide
Chemical Structure Depiction of
3-cyano-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzamide
3-cyano-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | S796-0349 |
| Compound Name: | 3-cyano-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]benzamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | C1CCCN(C(CC(NCC1)=O)c1ccccc1)C(CNC(c1cccc(C#N)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1237 |
| logD: | 2.1234 |
| logSw: | -2.93 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.877 |
| InChI Key: | JSZWTCVNXQLZSZ-QFIPXVFZSA-N |