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166671-26-7 | Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1,5-dihydro-2-(2-hydroxyethyl)-3-methyl-1-oxo-
CAS No: 166671-26-7 Catalog No: AG001WVK MDL No:MFCD02679225
Product Description
Catalog Number:
AG001WVK
Chemical Name:
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1,5-dihydro-2-(2-hydroxyethyl)-3-methyl-1-oxo-
CAS Number:
166671-26-7
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD02679225
IUPAC Name:
2-(2-hydroxyethyl)-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
InChI:
InChI=1S/C15H13N3O2/c1-9-10(6-7-19)15(20)18-13-5-3-2-4-12(13)17-14(18)11(9)8-16/h2-5,17,19H,6-7H2,1H3
InChI Key:
FNCJHHFYZDSIAK-UHFFFAOYSA-N
SMILES:
OCCc1c(C)c(C#N)c2n(c1=O)c1ccccc1[nH]2
NSC Number:
649899
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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