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Home > Imidazoles > 1170459-36-5
1170459-36-5 | 2-(2-{2,3-dimethylimidazo[1,2-b][1,2,4]triazin-7-yl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1170459-36-5 Catalog No: AG01B5Z2 MDL No:MFCD13967168
Product Description
Catalog Number:
AG01B5Z2
Chemical Name:
2-(2-{2,3-dimethylimidazo[1,2-b][1,2,4]triazin-7-yl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1170459-36-5
Molecular Formula:
C17H15N5O2
Molecular Weight:
321.3333
MDL Number:
MFCD13967168
IUPAC Name:
2-[2-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-7-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H15N5O2/c1-10-11(2)20-22-12(9-18-17(22)19-10)7-8-21-15(23)13-5-3-4-6-14(13)16(21)24/h3-6,9H,7-8H2,1-2H3
InChI Key:
IUCZDSVLADOTME-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2cnc3n2nc(C)c(n3)C)C(=O)c2c1cccc2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.34g/mol
Monoisotopic Mass:
321.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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