VU0359595

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 4
PubChem 44573131
Molecular Formula

C25H29BrN4O2

SMILES

C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Br)NC2=O)NC(=O)[C@@H]4C[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1

synonyms
  • 1246303-14-9
  • VU0359595
  • Cyclopropanecarboxamide, N-[(1S)-2-[4-(5-bromo-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-2-phenyl-, (1R,2R)-
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Properties
Property Value
MW 497.4 g/mol
HBD 2
HBA 3
Rotatable Bond Count 6
Exact Mass 496.14739 g/mol
Monoisotopic Mass 496.14739 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 691
xlogp 3.6
Topological Polar Surface Area 64.7