N-benzyl-2-[4-chloro-2-(4-chlorobenzoyl)phenoxy]-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
N-benzyl-2-[4-chloro-2-(4-chlorobenzoyl)phenoxy]-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
N-benzyl-2-[4-chloro-2-(4-chlorobenzoyl)phenoxy]-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0121-0140 |
| Compound Name: | N-benzyl-2-[4-chloro-2-(4-chlorobenzoyl)phenoxy]-N,N-dimethylethan-1-aminium--4-chlorobenzene-1-sulfonate (1/1) |
| Molecular Weight: | 620.98 |
| Molecular Formula: | C24 H24 Cl2 N O2 |
| Salt: | p-ClC6H4SO3- |
| Smiles: | C[N+](C)(CCOc1ccc(cc1C(c1ccc(cc1)[Cl])=O)[Cl])Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0521 |
| logD: | 6.0521 |
| logSw: | -6.0521 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.2733 |
| InChI Key: | AJAKJENVDDCOJK-UHFFFAOYSA-N |