4-chloro-2-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5859 |
| Compound Name: | 4-chloro-2-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C21 H27 Cl F N3 O4 S |
| Smiles: | CC(C)NC(N(CCN(C)C)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9596 |
| logD: | 1.2589 |
| logSw: | -4.3458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.53 |
| InChI Key: | KUXRGICUUMUWCZ-UHFFFAOYSA-N |