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Home > Fluorides > 155144-64-2
155144-64-2 | Pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-
CAS No: 155144-64-2 Catalog No: AG001NNJ MDL No:
Product Description
Catalog Number:
AG001NNJ
Chemical Name:
Pyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-
CAS Number:
155144-64-2
Molecular Formula:
C20H17FN4O3
Molecular Weight:
380.3724
IUPAC Name:
5-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-8-fluoro-2-hydroxypyrimido[1,6-a]benzimidazole-1,3-dione
InChI:
InChI=1S/C20H17FN4O3/c1-10-5-12(6-11(2)22-10)14-7-16-17(8-15(14)21)24-18(23(16)13-3-4-13)9-19(26)25(28)20(24)27/h5-9,13,28H,3-4H2,1-2H3
InChI Key:
SSMFYBHQLFTJSA-UHFFFAOYSA-N
SMILES:
Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.379g/mol
Monoisotopic Mass:
380.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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