Chemical ID: 4702346

COc1cc(cc(c1OC)OC)C(=O)N2c3ccccc3OCC2CC(=O)OC
Chemical ID:
4702346
Name [?]:
methyl 2-[10-(3,4,5-trimethoxybenzoyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-yl]acetate
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)N2c3ccccc3OCC2CC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23NO7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:5.48272
Area:565.006
Solvation:-8.64244
Coulombic:-62.825
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:401.41
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.08
LogP (Chemaxon):1.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue