N-(3-methylbutyl)-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-(3-methylbutyl)-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0361 |
| Compound Name: | N-(3-methylbutyl)-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 374.53 |
| Molecular Formula: | C21 H34 N4 O2 |
| Smiles: | CC(C)CCNC(C1CCCN(CCC(NCC1)=O)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5556 |
| logD: | 0.4874 |
| logSw: | -1.4276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.28 |
| InChI Key: | SJEVVNZHEHZBHQ-IBGZPJMESA-N |