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296799-49-0 | N-(4-Acetyl-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 296799-49-0 Catalog No: AG01F4JN MDL No:
Product Description
Catalog Number:
AG01F4JN
Chemical Name:
N-(4-Acetyl-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
296799-49-0
Molecular Formula:
C19H15N5O2S
Molecular Weight:
377.4197
IUPAC Name:
N-(4-acetylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C19H15N5O2S/c1-11(25)12-6-8-13(9-7-12)20-16(26)10-27-19-22-18-17(23-24-19)14-4-2-3-5-15(14)21-18/h2-9H,10H2,1H3,(H,20,26)(H,21,22,24)
InChI Key:
FYKOXEQHPQCMFG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.422g/mol
Monoisotopic Mass:
377.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. | PloS one 20120101 |
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