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820961-93-1 | Benzoxazole, 2-[(1,1-dimethyl-3-phenylpropyl)thio]-
CAS No: 820961-93-1 Catalog No: AG004X1Y MDL No:
Product Description
Catalog Number:
AG004X1Y
Chemical Name:
Benzoxazole, 2-[(1,1-dimethyl-3-phenylpropyl)thio]-
CAS Number:
820961-93-1
Molecular Formula:
C18H19NOS
Molecular Weight:
297.4146
IUPAC Name:
2-(2-methyl-4-phenylbutan-2-yl)sulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C18H19NOS/c1-18(2,13-12-14-8-4-3-5-9-14)21-17-19-15-10-6-7-11-16(15)20-17/h3-11H,12-13H2,1-2H3
InChI Key:
UZKMGWWWDDLVCF-UHFFFAOYSA-N
SMILES:
CC(Sc1nc2c(o1)cccc2)(CCc1ccccc1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.416g/mol
Monoisotopic Mass:
297.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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