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606109-50-6 | 1H-Benzimidazole-1-acetamide,N-cyclohexyl-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-(9CI)
CAS No: 606109-50-6 Catalog No: AG00EW7M MDL No:
Product Description
Catalog Number:
AG00EW7M
Chemical Name:
1H-Benzimidazole-1-acetamide,N-cyclohexyl-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-(9CI)
CAS Number:
606109-50-6
IUPAC Name:
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
InChI:
InChI=1S/C23H32N4O2S/c28-21(24-18-10-4-3-5-11-18)16-27-20-13-7-6-12-19(20)25-23(27)30-17-22(29)26-14-8-1-2-9-15-26/h6-7,12-13,18H,1-5,8-11,14-17H2,(H,24,28)
InChI Key:
JHQBQETXBYNQAB-UHFFFAOYSA-N
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.225g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.595g/mol
Monoisotopic Mass:
428.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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