4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
Compound ID: | V014-8070 |
Compound Name: | 4-{[(2-methylpropyl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
Molecular Weight: | 447.55 |
Molecular Formula: | C22 H22 F N O4 S2 |
Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.0258 |
logD: | 5.0258 |
logSw: | -4.5549 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.229 |
InChI Key: | WQXXLGBMDOGHTK-UHFFFAOYSA-N |