1-benzoyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-benzoyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-benzoyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-2227 |
| Compound Name: | 1-benzoyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C27 H33 N5 O3 |
| Smiles: | Cn1c2ccccc2nc1CCNC(C1CCCN(CCC(NCC1)=O)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8262 |
| logD: | 0.7568 |
| logSw: | -1.7974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.482 |
| InChI Key: | PTCIVKUJJYLRFF-UHFFFAOYSA-N |