Name: Name:4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole
Brand: Angene
SKU: AG01DTAR
Rating: 90 (10 reviews)

4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole

CAS No.:

891021-50-4

Catalog Number:

AG01DTAR

Molecular Formula:

C18H15F2NO5S2

Molecular Weight:

427.4422

Catalog Number:

AG01DTAR

Chemical Name:

4-(4-fluorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-1-sulfonyl)-1,3-oxazole

CAS Number:

891021-50-4

Molecular Formula:

C18H15F2NO5S2

Molecular Weight:

427.4422

MDL Number:

MFCD12968540

IUPAC Name:

2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-propylsulfonyl-1,3-oxazole

InChI:

InChI=1S/C18H15F2NO5S2/c1-2-11-27(22,23)18-17(28(24,25)15-9-7-14(20)8-10-15)21-16(26-18)12-3-5-13(19)6-4-12/h3-10H,2,11H2,1H3

InChI Key:

CTRZTCBBHSLLQF-UHFFFAOYSA-N

SMILES:

CCCS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(cc1)F)c1ccc(cc1)F

Complexity:

718

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

427.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

427.437g/mol

Monoisotopic Mass:

427.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8