4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxylic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxylic acid--hydrogen chloride (1/1)
4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxylic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S733-0460 |
| Compound Name: | 4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxylic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 341.84 |
| Molecular Formula: | C16 H23 N3 O3 |
| Salt: | HCl |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccncc1)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.2239 |
| logD: | -3.7769 |
| logSw: | -1.0791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.162 |
| InChI Key: | VJQJHIQAPDINFL-AWEZNQCLSA-N |