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337505-68-7 | N-(4-Ethoxy-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 337505-68-7 Catalog No: AG01F4JZ MDL No:
Product Description
Catalog Number:
AG01F4JZ
Chemical Name:
N-(4-Ethoxy-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
337505-68-7
Molecular Formula:
C19H17N5O2S
Molecular Weight:
379.4356
IUPAC Name:
N-(4-ethoxyphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C19H17N5O2S/c1-2-26-13-9-7-12(8-10-13)20-16(25)11-27-19-22-18-17(23-24-19)14-5-3-4-6-15(14)21-18/h3-10H,2,11H2,1H3,(H,20,25)(H,21,22,24)
InChI Key:
BGDZSVNAUVKUTA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.11g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.438g/mol
Monoisotopic Mass:
379.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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