5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2034 |
| Compound Name: | 5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 492.63 |
| Molecular Formula: | C25 H36 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(COC)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0699 |
| logD: | 4.0592 |
| logSw: | -4.1665 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.746 |
| InChI Key: | IHUNHAOSJQIVOW-UHFFFAOYSA-N |