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606109-11-9 | 1H-Benzimidazole-1-acetamide,N-(1,1-dimethylethyl)-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-(9CI)
CAS No: 606109-11-9 Catalog No: AG00EW7F MDL No:
Product Description
Catalog Number:
AG00EW7F
Chemical Name:
1H-Benzimidazole-1-acetamide,N-(1,1-dimethylethyl)-2-[[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]thio]-(9CI)
CAS Number:
606109-11-9
IUPAC Name:
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-tert-butylacetamide
InChI:
InChI=1S/C21H30N4O2S/c1-21(2,3)23-18(26)14-25-17-11-7-6-10-16(17)22-20(25)28-15-19(27)24-12-8-4-5-9-13-24/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,23,26)
InChI Key:
UYLGPURYACAJMF-UHFFFAOYSA-N
Properties
Complexity:
543
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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