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221910-88-9 | (S,E)-Methyl N-(4-hydroxy-2-(3-methoxypropyl)-1,1-dioxido-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-6-yl)sulfonylacetimidate
CAS No: 221910-88-9 Catalog No: AG006ZGP MDL No:
Product Description
Catalog Number:
AG006ZGP
Chemical Name:
(S,E)-Methyl N-(4-hydroxy-2-(3-methoxypropyl)-1,1-dioxido-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazin-6-yl)sulfonylacetimidate
CAS Number:
221910-88-9
Molecular Formula:
C13H20N2O7S3
Molecular Weight:
412.5021
IUPAC Name:
methyl N-[[(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]ethanimidate
InChI:
InChI=1S/C13H20N2O7S3/c1-9(22-3)14-24(17,18)12-7-10-11(16)8-15(5-4-6-21-2)25(19,20)13(10)23-12/h7,11,16H,4-6,8H2,1-3H3/t11-/m1/s1
InChI Key:
NGMFMGBINCLKCA-LLVKDONJSA-N
SMILES:
COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)/N=C(/OC)\C
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
412.043g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.49g/mol
Monoisotopic Mass:
412.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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