Chemical ID: 5073718

CCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3OC
Chemical ID:
5073718
Name [?]:
4-benzoyl-1-butyl-3-hydroxy-5-(2-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.43367
Area:559.071
Solvation:-4.5431
Coulombic:-52.1323
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:365.422
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):3.18

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