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606109-05-1 | 1H-Benzimidazole-1-acetamide,N-(1,1-dimethylethyl)-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
CAS No: 606109-05-1 Catalog No: AG00EW9E MDL No:
Product Description
Catalog Number:
AG00EW9E
Chemical Name:
1H-Benzimidazole-1-acetamide,N-(1,1-dimethylethyl)-2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
CAS Number:
606109-05-1
IUPAC Name:
N-tert-butyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
InChI:
InChI=1S/C21H30N4O2S/c1-15-9-7-8-12-24(15)19(27)14-28-20-22-16-10-5-6-11-17(16)25(20)13-18(26)23-21(2,3)4/h5-6,10-11,15H,7-9,12-14H2,1-4H3,(H,23,26)
InChI Key:
MCPKGZMPSPRHAH-UHFFFAOYSA-N
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.557g/mol
Monoisotopic Mass:
402.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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