Name: Name:4-Fluoro-1-Tosyl-3,4-Dihydro-1H-Benzo[B]Azepin-5(2H)-One
Brand: Angene
SKU: AG01DFFX
Rating: 90 (10 reviews)

4-Fluoro-1-Tosyl-3,4-Dihydro-1H-Benzo[B]Azepin-5(2H)-One

CAS No.:

168163-93-7

Catalog Number:

AG01DFFX

Molecular Formula:

C17H16FNO3S

Molecular Weight:

333.3772

Catalog Number:

AG01DFFX

Chemical Name:

4-Fluoro-1-Tosyl-3,4-Dihydro-1H-Benzo[B]Azepin-5(2H)-One

CAS Number:

168163-93-7

Molecular Formula:

C17H16FNO3S

Molecular Weight:

333.3772

MDL Number:

MFCD30471814

IUPAC Name:

4-fluoro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

InChI:

InChI=1S/C17H16FNO3S/c1-12-6-8-13(9-7-12)23(21,22)19-11-10-15(18)17(20)14-4-2-3-5-16(14)19/h2-9,15H,10-11H2,1H3

InChI Key:

FKEKXCVORRUFFZ-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)N1CCC(C(=O)c2c1cccc2)F

Complexity:

537

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.377g/mol

Monoisotopic Mass:

333.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3