4-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5635 |
| Compound Name: | 4-({butyl-N-[2-(dimethylamino)ethyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C22 H30 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCCNC(N(CCN(C)C)Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.862 |
| logD: | 1.1613 |
| logSw: | -3.7598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.311 |
| InChI Key: | JFYQRUYBSWAGDR-UHFFFAOYSA-N |