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Home > Imidazoles > 306735-68-2
306735-68-2 | 4-(3,4,5-TRIMETHOXY-PHENYL)-1,4-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A][1,3,5]TR+
CAS No: 306735-68-2 Catalog No: AG019H6A MDL No:MFCD05843865
Product Description
Catalog Number:
AG019H6A
Chemical Name:
4-(3,4,5-TRIMETHOXY-PHENYL)-1,4-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A][1,3,5]TR+
CAS Number:
306735-68-2
Molecular Formula:
C18H19N5O3
Molecular Weight:
353.3752
MDL Number:
MFCD05843865
IUPAC Name:
4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
InChI:
InChI=1S/C18H19N5O3/c1-24-13-8-10(9-14(25-2)15(13)26-3)16-21-17(19)22-18-20-11-6-4-5-7-12(11)23(16)18/h4-9,16H,1-3H3,(H3,19,20,21,22)
InChI Key:
OTHLDBRZPXOSIW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1N=C(N)Nc2n1c1ccccc1n2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.382g/mol
Monoisotopic Mass:
353.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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