Name: Name:tert-butyl 1-acetyl-3-amino-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
Brand: Angene
SKU: AG01BG6X
Rating: 90 (10 reviews)

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

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

Complexity:

478

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.404g/mol

Monoisotopic Mass:

314.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: