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154127-41-0 | 2-(3-Methoxypropyl)-4-oxo-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CAS No: 154127-41-0 Catalog No: AG007XRM MDL No:MFCD22572589
Product Description
Catalog Number:
AG007XRM
Chemical Name:
2-(3-Methoxypropyl)-4-oxo-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CAS Number:
154127-41-0
Molecular Formula:
C10H14N2O6S3
Molecular Weight:
354.4230
MDL Number:
MFCD22572589
IUPAC Name:
2-(3-methoxypropyl)-1,1,4-trioxo-3H-thieno[3,2-e]thiazine-6-sulfonamide
InChI:
InChI=1S/C10H14N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5H,2-4,6H2,1H3,(H2,11,14,15)
InChI Key:
VCKBAMGUANTCPO-UHFFFAOYSA-N
SMILES:
COCCCN1CC(=O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.001g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.41g/mol
Monoisotopic Mass:
354.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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