5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3326 |
| Compound Name: | 5-(diethylamino)-2-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C24 H34 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCN(C)C)C(c2ccc(cc2)[N+]([O-])=O)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.227 |
| logD: | 2.8912 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.607 |
| InChI Key: | KTXRKDIWBIOABA-UHFFFAOYSA-N |