1-benzoyl-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-benzoyl-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
1-benzoyl-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-2239 |
| Compound Name: | 1-benzoyl-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1ccccc1)=O)=O)C(NCCCn1cccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5266 |
| logD: | -0.5266 |
| logSw: | -1.3795 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.269 |
| InChI Key: | IKJLJOADVHMNKC-IBGZPJMESA-N |