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606109-33-5 | 1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio]-(9CI)
CAS No: 606109-33-5 Catalog No: AG00EWCN MDL No:
Product Description
Catalog Number:
AG00EWCN
Chemical Name:
1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio]-(9CI)
CAS Number:
606109-33-5
IUPAC Name:
N-cyclopentyl-2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
InChI:
InChI=1S/C25H28N4O2S/c30-23(26-20-9-3-4-10-20)16-29-22-12-6-5-11-21(22)27-25(29)32-17-24(31)28-14-13-18-7-1-2-8-19(18)15-28/h1-2,5-8,11-12,20H,3-4,9-10,13-17H2,(H,26,30)
InChI Key:
IHBFOUZRTQBFID-UHFFFAOYSA-N
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.193g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.585g/mol
Monoisotopic Mass:
448.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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