Structure

InChI Key CGTZMJIMMUNLQD-UHFFFAOYSA-N
Smile CCOc1ccccc1OC(c1ccccc1)C1CNCCO1.CS(=O)(=O)O
InChI
InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27NO6S
Molecular Weight 409.5
AlogP 3.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2146087
FDA SRS L94J81YNNY
SureChEMBL SCHEMBL7710570