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99610-84-1 | 5-(HYDROXYIMINO)-4-METHOXY-2-(PIVALOYLIMINO)THIAZOLIDINE-3-ACETAMIDE
CAS No: 99610-84-1 Catalog No: AG0065JV MDL No:
Product Description
Catalog Number:
AG0065JV
Chemical Name:
5-(HYDROXYIMINO)-4-METHOXY-2-(PIVALOYLIMINO)THIAZOLIDINE-3-ACETAMIDE
CAS Number:
99610-84-1
Molecular Formula:
C11H18N4O4S
Molecular Weight:
302.3500
IUPAC Name:
N-[3-(2-amino-2-oxoethyl)-5-hydroxyimino-4-methoxy-1,3-thiazolidin-2-ylidene]-2,2-dimethylpropanamide
InChI:
InChI=1S/C11H18N4O4S/c1-11(2,3)9(17)13-10-15(5-6(12)16)8(19-4)7(14-18)20-10/h8,18H,5H2,1-4H3,(H2,12,16)
InChI Key:
KYSSQRVLHARZJQ-UHFFFAOYSA-N
SMILES:
COC1C(=NO)SC(=NC(=O)C(C)(C)C)N1CC(=O)N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.349g/mol
Monoisotopic Mass:
302.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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