SR 48968

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 45
Total Number of Articles : 137
PubChem 104974
Molecular Formula

C31H35Cl2N3O2

SMILES

CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1

synonyms
  • Saredutant
  • 142001-63-6
  • SR-48968
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Properties
Property Value
MW 552.5 g/mol
HBD 1
HBA 3
Rotatable Bond Count 9
Exact Mass 551.2106328 g/mol
Monoisotopic Mass 551.2106328 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 760
xlogp 5.9
Topological Polar Surface Area 52.6