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306935-29-5 | 1(2H)-Pyrimidineacetic acid, 3,6-dihydro-3-(1-methylethyl)-5-(4-methyl-2-thiazolyl)-2,6-dioxo-, hydrazide
CAS No: 306935-29-5 Catalog No: AG0030UO MDL No:MFCD00277502
Product Description
Catalog Number:
AG0030UO
Chemical Name:
1(2H)-Pyrimidineacetic acid, 3,6-dihydro-3-(1-methylethyl)-5-(4-methyl-2-thiazolyl)-2,6-dioxo-, hydrazide
CAS Number:
306935-29-5
Molecular Formula:
C13H17N5O3S
Molecular Weight:
323.3708
MDL Number:
MFCD00277502
IUPAC Name:
2-[5-(4-methyl-1,3-thiazol-2-yl)-2,6-dioxo-3-propan-2-ylpyrimidin-1-yl]acetohydrazide
InChI:
InChI=1S/C13H17N5O3S/c1-7(2)17-4-9(11-15-8(3)6-22-11)12(20)18(13(17)21)5-10(19)16-14/h4,6-7H,5,14H2,1-3H3,(H,16,19)
InChI Key:
IXFMMRAIEJMDDU-UHFFFAOYSA-N
SMILES:
NNC(=O)Cn1c(=O)c(cn(c1=O)C(C)C)c1scc(n1)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.371g/mol
Monoisotopic Mass:
323.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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