SCHEMBL21467297

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 3
PubChem 51944811
Molecular Formula

C23H26F3N3O3

SMILES

COC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C23H26F3N3O3/c1-31-18-7-4-16(5-8-18)20-3-2-10-29(20)22(30)27-19-15-17(23(24,25)26)6-9-21(19)28-11-13-32-14-12-28/h4-9,15,20H,2-3,10-14H2,1H3,(H,27,30)/t20-/m0/s1

synonyms
  • SCHEMBL21467297
  • MOEURIVQRFKTCR-FQEVSTJZSA-N
  • (2S)-2-(4-methoxyphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
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Properties
Property Value
MW 449.5 g/mol
HBD 1
HBA 7
Rotatable Bond Count 4
Exact Mass 449.19262619 g/mol
Monoisotopic Mass 449.19262619 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 621
xlogp 3.7
Topological Polar Surface Area 54