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1255574-37-8 | 5H-[1,2,5]Thiadiazolo[2,3-a]pyrazine-5-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester, 1,1-dioxide
CAS No: 1255574-37-8 Catalog No: AG000NUP MDL No:MFCD17214272
Product Description
Catalog Number:
AG000NUP
Chemical Name:
5H-[1,2,5]Thiadiazolo[2,3-a]pyrazine-5-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester, 1,1-dioxide
CAS Number:
1255574-37-8
Molecular Formula:
C10H17N3O5S
Molecular Weight:
291.3241
MDL Number:
MFCD17214272
IUPAC Name:
tert-butyl 1,1,3-trioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazine-5-carboxylate
InChI:
InChI=1S/C10H17N3O5S/c1-10(2,3)18-9(15)12-4-5-13-7(6-12)8(14)11-19(13,16)17/h7H,4-6H2,1-3H3,(H,11,14)
InChI Key:
IQYUMMQGKQJXIB-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)N2C1CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.322g/mol
Monoisotopic Mass:
291.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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