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697237-70-0 | 4(1H)-Pyrimidinone, 2-[[2-(3,5-dimethylphenoxy)ethyl]thio]-5,6-dimethyl-
CAS No: 697237-70-0 Catalog No: AG005IRX MDL No:
Product Description
Catalog Number:
AG005IRX
Chemical Name:
4(1H)-Pyrimidinone, 2-[[2-(3,5-dimethylphenoxy)ethyl]thio]-5,6-dimethyl-
CAS Number:
697237-70-0
Molecular Formula:
C16H20N2O2S
Molecular Weight:
304.4072
IUPAC Name:
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4,5-dimethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)20-5-6-21-16-17-13(4)12(3)15(19)18-16/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChI Key:
FNTGJFPDWSWNJS-UHFFFAOYSA-N
SMILES:
Cc1cc(OCCSc2[nH]c(C)c(c(=O)n2)C)cc(c1)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.408g/mol
Monoisotopic Mass:
304.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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