200,000+ products from a single source!
sales@angenechem.com
294853-53-5 | (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl N-(4-methylbenzenesulfonyl)carbamate
CAS No: 294853-53-5 Catalog No: AG00IX3J MDL No:MFCD02169901
Product Description
Catalog Number:
AG00IX3J
Chemical Name:
(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl N-(4-methylbenzenesulfonyl)carbamate
CAS Number:
294853-53-5
Molecular Formula:
C17H16N2O5S2
Molecular Weight:
392.4493
MDL Number:
MFCD02169901
IUPAC Name:
(3-oxo-4H-1,4-benzothiazin-2-yl)methyl N-(4-methylphenyl)sulfonylcarbamate
InChI:
InChI=1S/C17H16N2O5S2/c1-11-6-8-12(9-7-11)26(22,23)19-17(21)24-10-15-16(20)18-13-4-2-3-5-14(13)25-15/h2-9,15H,10H2,1H3,(H,18,20)(H,19,21)
InChI Key:
RBRROENIHDLYLJ-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C)OCC1Sc2ccccc2NC1=O
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.05g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.444g/mol
Monoisotopic Mass:
392.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.