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606082-37-5 | Benzoic acid, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, ethyl ester (9CI)
CAS No: 606082-37-5 Catalog No: AG00EOQ2 MDL No:
Product Description
Catalog Number:
AG00EOQ2
Chemical Name:
Benzoic acid, 4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-, ethyl ester (9CI)
CAS Number:
606082-37-5
IUPAC Name:
ethyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate
InChI:
InChI=1S/C21H22N2O4S2/c1-2-27-21(24)16-7-9-17(10-8-16)29(25,26)23-13-11-15(12-14-23)20-22-18-5-3-4-6-19(18)28-20/h3-10,15H,2,11-14H2,1H3
InChI Key:
CHCGXJABZJFNRP-UHFFFAOYSA-N
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.537g/mol
Monoisotopic Mass:
430.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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