Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key SLZBEPLWGGRZAY-UHFFFAOYSA-N
Smiles COC1(CCOCC1)c2cc(F)cc(OCc3ccc4N(C)C(=O)C=Cc4c3)c2
InChI
InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24F1N1O4
Molecular Weight 397.17
AlogP 3.91
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 49.69
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 140841-32-3
NORMAN SUSDAT