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606082-81-9 | Piperidine, 4-(2-benzothiazolyl)-1-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl]- (9CI)
CAS No: 606082-81-9 Catalog No: AG00F8CD MDL No:
Product Description
Catalog Number:
AG00F8CD
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl]- (9CI)
CAS Number:
606082-81-9
IUPAC Name:
2-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C22H25N3O4S3/c26-31(27,24-13-3-4-14-24)18-7-9-19(10-8-18)32(28,29)25-15-11-17(12-16-25)22-23-20-5-1-2-6-21(20)30-22/h1-2,5-10,17H,3-4,11-16H2
InChI Key:
YTTCGEVLGYBBNI-UHFFFAOYSA-N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.101g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.639g/mol
Monoisotopic Mass:
491.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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