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605628-92-0 | Piperidine, 4-(2-benzothiazolyl)-1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- (9CI)
CAS No: 605628-92-0 Catalog No: AG00F87A MDL No:
Product Description
Catalog Number:
AG00F87A
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- (9CI)
CAS Number:
605628-92-0
IUPAC Name:
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C22H26N2O2S2/c1-22(2,3)17-8-10-18(11-9-17)28(25,26)24-14-12-16(13-15-24)21-23-19-6-4-5-7-20(19)27-21/h4-11,16H,12-15H2,1-3H3
InChI Key:
AZROIIFLRQWXQV-UHFFFAOYSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.144g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.582g/mol
Monoisotopic Mass:
414.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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