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605629-38-7 | Piperidine, 4-(2-benzothiazolyl)-1-[(2,4,6-trimethylphenyl)sulfonyl]- (9CI)
CAS No: 605629-38-7 Catalog No: AG00F880 MDL No:
Product Description
Catalog Number:
AG00F880
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[(2,4,6-trimethylphenyl)sulfonyl]- (9CI)
CAS Number:
605629-38-7
IUPAC Name:
2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C21H24N2O2S2/c1-14-12-15(2)20(16(3)13-14)27(24,25)23-10-8-17(9-11-23)21-22-18-6-4-5-7-19(18)26-21/h4-7,12-13,17H,8-11H2,1-3H3
InChI Key:
UKFSYNHZOUUCBQ-UHFFFAOYSA-N
Properties
Complexity:
600
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:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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