1-benzoyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-benzoyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
1-benzoyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-2152 |
| Compound Name: | 1-benzoyl-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C25 H28 F3 N3 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1ccccc1)=O)=O)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6767 |
| logD: | 1.6767 |
| logSw: | -2.0539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.655 |
| InChI Key: | KJVWJQHVXFATIX-IBGZPJMESA-N |