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606081-97-4 | Benzoxazole, 2-[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]- (9CI)
CAS No: 606081-97-4 Catalog No: AG00EOEM MDL No:
Product Description
Catalog Number:
AG00EOEM
Chemical Name:
Benzoxazole, 2-[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]- (9CI)
CAS Number:
606081-97-4
IUPAC Name:
2-(1-benzylsulfonylpiperidin-4-yl)-1,3-benzoxazole
InChI:
InChI=1S/C19H20N2O3S/c22-25(23,14-15-6-2-1-3-7-15)21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)24-19/h1-9,16H,10-14H2
InChI Key:
NOKNEKCEQHEVKK-UHFFFAOYSA-N
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.44g/mol
Monoisotopic Mass:
356.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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