4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
Compound ID: | V029-4788 |
Compound Name: | 4-chloro-2-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
Molecular Weight: | 481.99 |
Molecular Formula: | C22 H21 Cl F N O4 S2 |
Smiles: | CC(C)CN(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.828 |
logD: | 5.828 |
logSw: | -5.9984 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.316 |
InChI Key: | AMNHXDXGEOIKGR-UHFFFAOYSA-N |