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606082-00-2 | Piperidine, 4-(2-benzothiazolyl)-1-[(4-nitrophenyl)sulfonyl]- (9CI)
CAS No: 606082-00-2 Catalog No: AG00F8BR MDL No:
Product Description
Catalog Number:
AG00F8BR
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[(4-nitrophenyl)sulfonyl]- (9CI)
CAS Number:
606082-00-2
IUPAC Name:
2-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C18H17N3O4S2/c22-21(23)14-5-7-15(8-6-14)27(24,25)20-11-9-13(10-12-20)18-19-16-3-1-2-4-17(16)26-18/h1-8,13H,9-12H2
InChI Key:
GKGCYMQEYXOZKO-UHFFFAOYSA-N
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.066g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.471g/mol
Monoisotopic Mass:
403.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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