Name: Name:2-bromo-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-3-methylbutan-1-one
Brand: Angene
SKU: AG019KZN
Rating: 90 (10 reviews)

2-bromo-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-3-methylbutan-1-one

CAS No.:

1097794-82-5

Catalog Number:

AG019KZN

Molecular Formula:

C13H16BrNOS

Molecular Weight:

314.2412

Catalog Number:

AG019KZN

Chemical Name:

2-bromo-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-3-methylbutan-1-one

CAS Number:

1097794-82-5

Molecular Formula:

C13H16BrNOS

Molecular Weight:

314.2412

MDL Number:

MFCD11643992

IUPAC Name:

2-bromo-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-methylbutan-1-one

InChI:

InChI=1S/C13H16BrNOS/c1-9(2)12(14)13(16)15-7-8-17-11-6-4-3-5-10(11)15/h3-6,9,12H,7-8H2,1-2H3

InChI Key:

QWKQHBLNOOMJQY-UHFFFAOYSA-N

SMILES:

CC(C(C(=O)N1CCSc2c1cccc2)Br)C

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.241g/mol

Monoisotopic Mass:

313.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7