1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one

Ligand id: 3135

Name: 1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 47.56
Molecular weight 351.18
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(prop-2-en-1-yl)-2-{3-[(propan-2-yl)amino]propoxy}-9H-xanthen-9-one
Database Links
CAS Registry No. 204061-69-8 (source: Scifinder)
PubChem CID 56947004
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