4-chloro-2-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4738 |
| Compound Name: | 4-chloro-2-({N-[2-(dimethylamino)ethyl]-3-methylbutanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C22 H28 Cl F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N(CCN(C)C)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4086 |
| logD: | 3.5198 |
| logSw: | -4.5448 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.886 |
| InChI Key: | SCBCTZUCDVWUSQ-UHFFFAOYSA-N |