Chemical ID: 6622414

CCCCc1c(c(cc(c1OC(=O)C)C)OCC(CNC(C)C)O)C
Chemical ID:
6622414
Name [?]:
[2-butyl-4-(2-hydroxy-3-isopropylamino-propoxy)-3,6-dimethyl-phenyl] acetate
SMILES [?]:
CCCCc1c(c(cc(c1OC(=O)C)C)OCC(CNC(C)C)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H33NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.86729
Area:607.973
Solvation:-5.33203
Coulombic:-49.9207
Bond Count [?]
All:25
Single:21
Double:4
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:351.48
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.83
LogP (Chemaxon):3.88

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