4-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-5580 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-3,5,5-trimethylhexanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 492.65 |
| Molecular Formula: | C26 H37 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(CC(N(CCN(C)C)Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0399 |
| logD: | 4.151 |
| logSw: | -4.5324 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.799 |
| InChI Key: | QHZBVJMTQRTOAC-HXUWFJFHSA-N |