4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
Compound ID: | S733-0601 |
Compound Name: | 4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
Molecular Weight: | 412.53 |
Molecular Formula: | C22 H32 N6 O2 |
Smiles: | C1CC(CCNC(CCN(C1)Cc1cccnc1)=O)C(NCCCn1cccn1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -1.0721 |
logD: | -1.2296 |
logSw: | -0.8191 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.871 |
InChI Key: | DYWFWAFWXNNHOQ-UHFFFAOYSA-N |