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Home > Indoles and Oxindole > 189830-96-4
189830-96-4 | Ethanone, 1-(4-morpholinyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189830-96-4 Catalog No: AG002E1Q MDL No:
Product Description
Catalog Number:
AG002E1Q
Chemical Name:
Ethanone, 1-(4-morpholinyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189830-96-4
Molecular Formula:
C15H15N5O2S
Molecular Weight:
329.3769
IUPAC Name:
1-morpholin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
InChI:
InChI=1S/C15H15N5O2S/c21-12(20-5-7-22-8-6-20)9-23-15-17-14-13(18-19-15)10-3-1-2-4-11(10)16-14/h1-4H,5-9H2,(H,16,17,19)
InChI Key:
OOXUQOPRDRBRNH-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.378g/mol
Monoisotopic Mass:
329.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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