Structure

InChI Key VGIYMYGMVXPMKV-GWDMYEQXSA-N
Smile [11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1
InChI
InChI=1S/C20H25N3O3/c1-24-14-16-5-4-8-21-20(16)23-11-9-22(10-12-23)13-17-15-25-18-6-2-3-7-19(18)26-17/h2-8,17H,9-15H2,1H3/t17-/m0/s1/i1-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N3O3
Molecular Weight 354.44
AlogP 2.19
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 47.06
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL4297337
DrugBank DB15324
FDA SRS Y61S1UFN4Y