3-{[(dichloroacetyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[(dichloroacetyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
3-{[(dichloroacetyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-4638 |
| Compound Name: | 3-{[(dichloroacetyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 368.28 |
| Molecular Formula: | C14 H19 Cl2 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(C(C)C)C(C([Cl])[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5675 |
| logD: | 2.5675 |
| logSw: | -2.8782 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.573 |
| InChI Key: | HVLBFEZSYOSRDS-UHFFFAOYSA-N |