4-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5601 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-4-nitrobenzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 501.53 |
| Molecular Formula: | C24 H24 F N3 O6 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4827 |
| logD: | 3.1468 |
| logSw: | -3.8082 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.437 |
| InChI Key: | DJDMXJNEGOKLIU-UHFFFAOYSA-N |