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820961-97-5 | Benzoxazole, 2-[[(1R)-1-methyl-1-phenylpropyl]thio]-
CAS No: 820961-97-5 Catalog No: AG005C5F MDL No:
Product Description
Catalog Number:
AG005C5F
Chemical Name:
Benzoxazole, 2-[[(1R)-1-methyl-1-phenylpropyl]thio]-
CAS Number:
820961-97-5
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
2-[(2R)-2-phenylbutan-2-yl]sulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C17H17NOS/c1-3-17(2,13-9-5-4-6-10-13)20-16-18-14-11-7-8-12-15(14)19-16/h4-12H,3H2,1-2H3/t17-/m1/s1
InChI Key:
DGLWQPMYHCKQMP-QGZVFWFLSA-N
SMILES:
CC[C@](c1ccccc1)(Sc1nc2c(o1)cccc2)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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