4-oxo-N-(3-phenylpropyl)-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
4-oxo-N-(3-phenylpropyl)-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
4-oxo-N-(3-phenylpropyl)-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0492 |
| Compound Name: | 4-oxo-N-(3-phenylpropyl)-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C25 H34 N4 O2 |
| Smiles: | C(Cc1ccccc1)CNC(C1CCCN(CCC(NCC1)=O)Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4825 |
| logD: | 1.325 |
| logSw: | -1.4416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.098 |
| InChI Key: | YSASRHNHLQOAKJ-QHCPKHFHSA-N |