2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2069 |
| Compound Name: | 2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C24 H34 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5861 |
| logD: | 4.5754 |
| logSw: | -4.4832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.317 |
| InChI Key: | NJIWPMIXZJNVFQ-UHFFFAOYSA-N |