3-[8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
3-[8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S791-0331 |
| Compound Name: | 3-[8-(cyclopropanecarbonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]benzonitrile |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)C(C1CC1)=O)=O)C(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5873 |
| logD: | 1.5873 |
| logSw: | -2.1045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.699 |
| InChI Key: | BYLBRARRZPHXOO-QHCPKHFHSA-N |