Name: Name:1-(3-Bromobenzyl)-5-(3-(4-(Trifluoromethoxy)Phenyl)Isoxazol-5-Yl)Pyridin-2(1H)-One
Brand: Angene
SKU: AG01DGS0
Rating: 90 (10 reviews)

1-(3-Bromobenzyl)-5-(3-(4-(Trifluoromethoxy)Phenyl)Isoxazol-5-Yl)Pyridin-2(1H)-One

CAS No.:

1571034-57-5

Catalog Number:

AG01DGS0

Molecular Formula:

C22H14BrF3N2O3

Molecular Weight:

491.2574

Catalog Number:

AG01DGS0

Chemical Name:

1-(3-Bromobenzyl)-5-(3-(4-(Trifluoromethoxy)Phenyl)Isoxazol-5-Yl)Pyridin-2(1H)-One

CAS Number:

1571034-57-5

Molecular Formula:

C22H14BrF3N2O3

Molecular Weight:

491.2574

MDL Number:

MFCD30472080

IUPAC Name:

1-[(3-bromophenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]pyridin-2-one

InChI:

InChI=1S/C22H14BrF3N2O3/c23-17-3-1-2-14(10-17)12-28-13-16(6-9-21(28)29)20-11-19(27-31-20)15-4-7-18(8-5-15)30-22(24,25)26/h1-11,13H,12H2

InChI Key:

FCMZEYLRIRBTEL-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)Cn1cc(ccc1=O)c1onc(c1)c1ccc(cc1)OC(F)(F)F

Complexity:

707

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

490.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

491.264g/mol

Monoisotopic Mass:

490.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1