Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key MKJIEFSOBYUXJB-LIJFRPJRSA-N
Smile [2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2
InChI
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/i3D3,4D3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27NO3
Molecular Weight 323.47
AlogP 3.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 38.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137326
DrugCentral 5226
PubChem 45255840
SureChEMBL SCHEMBL13321841