UNII-EK8WS2OJX0

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 52938426
Molecular Formula

C21H20N4O2

SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)N)C#N

InChI

InChI=1S/C21H20N4O2/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-24-20(25-27-21)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9-10,12,18H,7-8,23H2,1-2H3/t18-/m0/s1

synonyms
  • RP101075
  • 1306760-73-5
  • RP-101075
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Properties
Property Value
MW 360.4 g/mol
HBD 1
HBA 6
Rotatable Bond Count 4
Exact Mass 360.15862589 g/mol
Monoisotopic Mass 360.15862589 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 562
xlogp 3.2
Topological Polar Surface Area 98