Chemical ID: 4134550

Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
Chemical ID:
4134550
Name [?]:
4-(4-allyloxy-3-methyl-benzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCN4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H34N2O7
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:9.1146
Area:789.334
Solvation:-10.6188
Coulombic:-77.4252
Bond Count [?]
All:41
Single:31
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:522.59
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.97
LogP (Chemaxon):0.91

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