4-chloro-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3635 |
| Compound Name: | 4-chloro-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 482.98 |
| Molecular Formula: | C22 H27 Cl N2 O6 S |
| Smiles: | CC(C)CN(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0604 |
| logD: | 3.0603 |
| logSw: | -3.5939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.728 |
| InChI Key: | HQVIQYGOLJMXCO-UHFFFAOYSA-N |