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606082-31-9 | Benzoic acid, 3-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS No: 606082-31-9 Catalog No: AG00EOPK MDL No:
Product Description
Catalog Number:
AG00EOPK
Chemical Name:
Benzoic acid, 3-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS Number:
606082-31-9
IUPAC Name:
methyl 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate
InChI:
InChI=1S/C20H20N2O4S2/c1-26-20(23)15-5-4-6-16(13-15)28(24,25)22-11-9-14(10-12-22)19-21-17-7-2-3-8-18(17)27-19/h2-8,13-14H,9-12H2,1H3
InChI Key:
NUSBYRVLOITTBX-UHFFFAOYSA-N
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.086g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.51g/mol
Monoisotopic Mass:
416.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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