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36881-71-7 | N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS No: 36881-71-7 Catalog No: AG00IQJE MDL No:MFCD01569179
Product Description
Catalog Number:
AG00IQJE
Chemical Name:
N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6,1-benzothiazine-3-carboxamide
CAS Number:
36881-71-7
Molecular Formula:
C16H13ClN2O4S
Molecular Weight:
364.8034
MDL Number:
MFCD01569179
IUPAC Name:
N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
InChI:
InChI=1S/C16H13ClN2O4S/c1-19-13-8-3-2-7-12(13)14(20)15(24(19,22)23)16(21)18-11-6-4-5-10(17)9-11/h2-9,20H,1H3,(H,18,21)
InChI Key:
IGQZSUJPKKHKLG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)C1=C(O)c2ccccc2N(S1(=O)=O)C
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.8g/mol
Monoisotopic Mass:
364.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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