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1443980-76-4 | 4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
CAS No: 1443980-76-4 Catalog No: AG01A54X MDL No:MFCD24842794
Product Description
Catalog Number:
AG01A54X
Chemical Name:
4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
CAS Number:
1443980-76-4
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
MDL Number:
MFCD24842794
IUPAC Name:
4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepine-7-sulfonamide
InChI:
InChI=1S/C10H12N2O4S/c1-12-4-5-16-9-3-2-7(17(11,14)15)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3,(H2,11,14,15)
InChI Key:
ZKBWNBFPZZRBFT-UHFFFAOYSA-N
SMILES:
CN1CCOc2c(C1=O)cc(cc2)S(=O)(=O)N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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