N-benzyl-4-oxo-1-(4-phenylbutanoyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-1-(4-phenylbutanoyl)-1,5-diazacycloundecane-8-carboxamide
N-benzyl-4-oxo-1-(4-phenylbutanoyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0743 |
| Compound Name: | N-benzyl-4-oxo-1-(4-phenylbutanoyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | C(CC(N1CCCC(CCNC(CC1)=O)C(NCc1ccccc1)=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1521 |
| logD: | 2.1521 |
| logSw: | -2.4825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.127 |
| InChI Key: | PMUWKUYUISUKLS-DEOSSOPVSA-N |