TAK 779

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 29
Total Number of Articles : 40
PubChem 183790
Molecular Formula

C33H39N2O2+

SMILES

CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2

InChI

InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1

synonyms
  • TAK-779 cation
  • TAK 779 (Chloride)
  • TAK779
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Properties
Property Value
MW 495.7 g/mol
HBD 1
HBA 2
Rotatable Bond Count 6
Exact Mass 495.301153491 g/mol
Monoisotopic Mass 495.301153491 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 769
xlogp 6.4
Topological Polar Surface Area 38.3