Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 27RL57FCYM

Structure

InChI Key YOKPRDAUBGOISU-UHFFFAOYSA-N
Smile COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC
InChI
InChI=1S/C22H35NO7/c1-16(2)6-9-29-15-18(14-23-7-10-28-11-8-23)30-22(24)17-12-19(25-3)21(27-5)20(13-17)26-4/h12-13,16,18H,6-11,14-15H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H35NO7
Molecular Weight 425.52
AlogP 2.63
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 75.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2104537
EPA CompTox DTXSID6048838
FDA SRS 27RL57FCYM
PubChem 31473
SureChEMBL SCHEMBL310649