4-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-6644 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-3-phenylpropanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C26 H29 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2333 |
| logD: | 3.3445 |
| logSw: | -4.1475 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.528 |
| InChI Key: | NYZQBYCHJAQIMH-UHFFFAOYSA-N |