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155202-16-7 | PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBOXAMIDE, 7-FLUORO-N-(2-FLUOROPHENYL)-1,2,3,5-TETRAHYDRO-3-OXO-
CAS No: 155202-16-7 Catalog No: AG001NQE MDL No:
Product Description
Catalog Number:
AG001NQE
Chemical Name:
PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBOXAMIDE, 7-FLUORO-N-(2-FLUOROPHENYL)-1,2,3,5-TETRAHYDRO-3-OXO-
CAS Number:
155202-16-7
Molecular Formula:
C18H13F2N3O2
Molecular Weight:
341.3115
IUPAC Name:
7-fluoro-N-(2-fluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
InChI:
InChI=1S/C18H13F2N3O2/c19-10-5-6-14-13(9-10)21-17-16(15(24)7-8-23(14)17)18(25)22-12-4-2-1-3-11(12)20/h1-6,9,24H,7-8H2,(H,22,25)
InChI Key:
LRRMMDLRIBPLLY-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c1=C(C(=O)CCn21)C(=O)Nc1ccccc1F
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.318g/mol
Monoisotopic Mass:
341.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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