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Home > Indoles and Oxindole > 189638-32-2
189638-32-2 | Acetamide, N,N-diethyl-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189638-32-2 Catalog No: AG002DU2 MDL No:
Product Description
Catalog Number:
AG002DU2
Chemical Name:
Acetamide, N,N-diethyl-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189638-32-2
Molecular Formula:
C15H17N5OS
Molecular Weight:
315.3934
IUPAC Name:
N,N-diethyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C15H17N5OS/c1-3-20(4-2)12(21)9-22-15-17-14-13(18-19-15)10-7-5-6-8-11(10)16-14/h5-8H,3-4,9H2,1-2H3,(H,16,17,19)
InChI Key:
CGKOKKIBBRMBPU-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CSc1nnc2c(n1)[nH]c1c2cccc1)CC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.395g/mol
Monoisotopic Mass:
315.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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