2-{[acetyl(propan-2-yl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(propan-2-yl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[acetyl(propan-2-yl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4281 |
| Compound Name: | 2-{[acetyl(propan-2-yl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 487.44 |
| Molecular Formula: | C22 H28 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(C)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1774 |
| logD: | 5.1666 |
| logSw: | -5.665 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.517 |
| InChI Key: | DSRHTYKTNLZOJZ-UHFFFAOYSA-N |