4-({acetyl[2-(dimethylamino)ethyl]amino}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({acetyl[2-(dimethylamino)ethyl]amino}methyl)phenyl propane-2-sulfonate
4-({acetyl[2-(dimethylamino)ethyl]amino}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4619 |
| Compound Name: | 4-({acetyl[2-(dimethylamino)ethyl]amino}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C16 H26 N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3978 |
| logD: | 0.5823 |
| logSw: | -2.2876 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.066 |
| InChI Key: | IZUFYNYXIDVYGR-UHFFFAOYSA-N |