Chemical ID: 4798092

CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4cc(c(c(c4)Br)O)OC)CCOC)O
Chemical ID:
4798092
Name [?]:
5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonyl]-5H-pyrrol-2-one
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N(C3c4cc(c(c(c4)Br)O)OC)CCOC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24BrNO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:8.87564
Area:681.681
Solvation:-8.16639
Coulombic:-80.4356
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:518.354
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.54
LogP (Chemaxon):2.46

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