3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 41
Total Number of Articles : 71
PubChem 9888075
Molecular Formula

C23H29NO6

SMILES

CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO2.C2H2O4/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;3-1(4)2(5)6/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;(H,3,4)(H,5,6)/t18-,20-;/m0./s1

synonyms
  • 174689-39-5
  • SR59230A
  • SR 59230A
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Properties
Property Value
MW 415.5 g/mol
HBD 4
HBA 7
Rotatable Bond Count 8
Exact Mass 415.19948764 g/mol
Monoisotopic Mass 415.19948764 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 2
Complexity 433
xlogp None
Topological Polar Surface Area 116