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31846-95-4 | 1-benzyl-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS No: 31846-95-4 Catalog No: AG00M1WB MDL No:MFCD00828791
Product Description
Catalog Number:
AG00M1WB
Chemical Name:
1-benzyl-3,4-dihydro-1H-2lambda6,1-benzothiazine-2,2,4-trione
CAS Number:
31846-95-4
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
MDL Number:
MFCD00828791
IUPAC Name:
1-benzyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C15H13NO3S/c17-15-11-20(18,19)16(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-9H,10-11H2
InChI Key:
PMVMITAPYZEZEW-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)N(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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