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606083-56-1 | Piperidine, 4-(2-benzothiazolyl)-1-[(4-propylphenyl)sulfonyl]- (9CI)
CAS No: 606083-56-1 Catalog No: AG00F8PA MDL No:
Product Description
Catalog Number:
AG00F8PA
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[(4-propylphenyl)sulfonyl]- (9CI)
CAS Number:
606083-56-1
IUPAC Name:
2-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C21H24N2O2S2/c1-2-5-16-8-10-18(11-9-16)27(24,25)23-14-12-17(13-15-23)21-22-19-6-3-4-7-20(19)26-21/h3-4,6-11,17H,2,5,12-15H2,1H3
InChI Key:
IJCOTBVELQZSDS-UHFFFAOYSA-N
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.555g/mol
Monoisotopic Mass:
400.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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