3-{[(chloroacetyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(chloroacetyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(chloroacetyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V007-2820 |
| Compound Name: | 3-{[(chloroacetyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 413.89 |
| Molecular Formula: | C19 H21 Cl F N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7959 |
| logD: | 3.7959 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | IDUUFHUAPJMUEL-UHFFFAOYSA-N |