Chemical ID: 4126704

CCc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCc4ccccc4
Chemical ID:
4126704
Name [?]:
4-(4-benzyloxy-3-methyl-benzoyl)-1-(2-dimethylaminoethyl)-5-(4-ethylphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(c(c3)C)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H34N2O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.1067
Area:792.986
Solvation:-5.71789
Coulombic:-58.0686
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:498.613
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.8
LogP (Chemaxon):2.65

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