5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-6656 |
| Compound Name: | 5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 489.68 |
| Molecular Formula: | C26 H39 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCN(C)C)C(CCc2ccccc2)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9777 |
| logD: | 3.0889 |
| logSw: | -3.9623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.698 |
| InChI Key: | KLOKKYUOOIIJAX-UHFFFAOYSA-N |