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823801-74-7 | 2H-1,4-Benzothiazine-2-acetamide, N,N-diethyl-3,4-dihydro-3-oxo-
CAS No: 823801-74-7 Catalog No: AG00539F MDL No:
Product Description
Catalog Number:
AG00539F
Chemical Name:
2H-1,4-Benzothiazine-2-acetamide, N,N-diethyl-3,4-dihydro-3-oxo-
CAS Number:
823801-74-7
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
IUPAC Name:
N,N-diethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
InChI:
InChI=1S/C14H18N2O2S/c1-3-16(4-2)13(17)9-12-14(18)15-10-7-5-6-8-11(10)19-12/h5-8,12H,3-4,9H2,1-2H3,(H,15,18)
InChI Key:
VUPDUUUQTFCTIL-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CC1Sc2ccccc2NC1=O)CC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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