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332157-61-6 | N-(3-Nitro-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 332157-61-6 Catalog No: AG01F4NU MDL No:
Product Description
Catalog Number:
AG01F4NU
Chemical Name:
N-(3-Nitro-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
332157-61-6
Molecular Formula:
C17H12N6O3S
Molecular Weight:
380.3806
IUPAC Name:
N-(3-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C17H12N6O3S/c24-14(18-10-4-3-5-11(8-10)23(25)26)9-27-17-20-16-15(21-22-17)12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,18,24)(H,19,20,22)
InChI Key:
SWCCOZZPYOTLQT-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.069g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.382g/mol
Monoisotopic Mass:
380.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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