Kuanoniamine C

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 397485
Molecular Formula

C21H18N4OS

SMILES

CCC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2

InChI

InChI=1S/C21H18N4OS/c1-2-16(26)22-9-8-14-18-17-13(12-5-3-4-6-15(12)25-18)7-10-23-19(17)20-21(14)27-11-24-20/h3-7,10-11,25H,2,8-9H2,1H3,(H,22,26)

synonyms
  • Kuanoniamine C
  • 133401-12-4
  • N-[2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]propanamide
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Properties
Property Value
MW 374.5 g/mol
HBD 2
HBA 5
Rotatable Bond Count 4
Exact Mass 374.12013238 g/mol
Monoisotopic Mass 374.12013238 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 560
xlogp 3.9
Topological Polar Surface Area 95.2