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606082-33-1 | Benzoic acid, 4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS No: 606082-33-1 Catalog No: AG00EOP1 MDL No:
Product Description
Catalog Number:
AG00EOP1
Chemical Name:
Benzoic acid, 4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)
CAS Number:
606082-33-1
IUPAC Name:
methyl 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate
InChI:
InChI=1S/C20H21N3O4S/c1-27-20(24)15-6-8-16(9-7-15)28(25,26)23-12-10-14(11-13-23)19-21-17-4-2-3-5-18(17)22-19/h2-9,14H,10-13H2,1H3,(H,21,22)
InChI Key:
MXCBQZQTPJRIPC-UHFFFAOYSA-N
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.125g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.465g/mol
Monoisotopic Mass:
399.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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