N,N-dimethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-sulfonamide
Chemical Structure Depiction of
N,N-dimethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-sulfonamide
N,N-dimethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-sulfonamide
Compound characteristics
| Compound ID: | S791-0850 |
| Compound Name: | N,N-dimethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-sulfonamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CN(C)S(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4723 |
| logD: | 0.4479 |
| logSw: | -2.0232 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.219 |
| InChI Key: | OOHRETOGTYSGFZ-NRFANRHFSA-N |