3-({[2-(dimethylamino)ethyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({[2-(dimethylamino)ethyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({[2-(dimethylamino)ethyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3193 |
| Compound Name: | 3-({[2-(dimethylamino)ethyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C21 H27 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(COC)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3996 |
| logD: | 1.4807 |
| logSw: | -3.0324 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.223 |
| InChI Key: | JZDQVIQCERLJQH-UHFFFAOYSA-N |