N-benzyl-1-[(4-cyanophenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(4-cyanophenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-[(4-cyanophenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0864 |
| Compound Name: | N-benzyl-1-[(4-cyanophenyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccc(C#N)cc1)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3001 |
| logD: | 1.0928 |
| logSw: | -1.9966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.795 |
| InChI Key: | LANBOYPGVQPFHR-QHCPKHFHSA-N |