N-[(4-methylphenyl)methyl]-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
N-[(4-methylphenyl)methyl]-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S747-0223 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-oxo-8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecane-1-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)C(NCc2ccc(C)cc2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3973 |
| logD: | 2.3973 |
| logSw: | -2.8131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.062 |
| InChI Key: | HZKNLCOWZDOEHP-IBGZPJMESA-N |