4-chloro-2-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-8162 |
| Compound Name: | 4-chloro-2-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 496.02 |
| Molecular Formula: | C23 H30 Cl N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)C(N(CCN(C)C)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1946 |
| logD: | 2.2305 |
| logSw: | -3.6412 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.675 |
| InChI Key: | XXVIZDJMBFANJH-UHFFFAOYSA-N |