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605629-40-1 | Piperidine, 4-(2-benzothiazolyl)-1-(1-naphthalenylsulfonyl)- (9CI)
CAS No: 605629-40-1 Catalog No: AG00EHV8 MDL No:
Product Description
Catalog Number:
AG00EHV8
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-(1-naphthalenylsulfonyl)- (9CI)
CAS Number:
605629-40-1
IUPAC Name:
2-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-1,3-benzothiazole
InChI:
InChI=1S/C22H20N2O2S2/c25-28(26,21-11-5-7-16-6-1-2-8-18(16)21)24-14-12-17(13-15-24)22-23-19-9-3-4-10-20(19)27-22/h1-11,17H,12-15H2
InChI Key:
JBBSYGUMDGPRFC-UHFFFAOYSA-N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.097g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.534g/mol
Monoisotopic Mass:
408.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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