Home Carboxys tert-butyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

tert-butyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

CAS No.:
1803562-13-1
Catalog Number:
AG01BG6X
Molecular Formula:
C13H22N4O3S
Molecular Weight:
314.4038
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Product Description
Catalog Number:
AG01BG6X
Chemical Name:
tert-butyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
CAS Number:
1803562-13-1
Molecular Formula:
C13H22N4O3S
Molecular Weight:
314.4038
MDL Number:
MFCD28139379
IUPAC Name:
tert-butyl 4-acetyl-2-amino-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
InChI:
InChI=1S/C13H22N4O3S/c1-9(18)17-13(21-10(14)15-17)5-7-16(8-6-13)11(19)20-12(2,3)4/h5-8H2,1-4H3,(H2,14,15)
InChI Key:
VSPIYWPLMVUSCU-UHFFFAOYSA-N
SMILES:
NC1=NN(C2(S1)CCN(CC2)C(=O)OC(C)(C)C)C(=O)C
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.141g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.404g/mol
Monoisotopic Mass:
314.141g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties