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606083-08-3 | Piperidine, 4-(2-benzothiazolyl)-1-[[2,5-diethoxy-4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]- (9CI)
CAS No: 606083-08-3 Catalog No: AG00F8OP MDL No:
Product Description
Catalog Number:
AG00F8OP
Chemical Name:
Piperidine, 4-(2-benzothiazolyl)-1-[[2,5-diethoxy-4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]- (9CI)
CAS Number:
606083-08-3
IUPAC Name:
2-[1-[2,5-diethoxy-4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
InChI:
InChI=1S/C28H37N3O6S3/c1-4-36-23-19-27(24(37-5-2)18-26(23)39(32,33)30-14-10-20(3)11-15-30)40(34,35)31-16-12-21(13-17-31)28-29-22-8-6-7-9-25(22)38-28/h6-9,18-21H,4-5,10-17H2,1-3H3
InChI Key:
YJHNOQXFKIFMMS-UHFFFAOYSA-N
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
607.184g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
607.799g/mol
Monoisotopic Mass:
607.184g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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