Chemical ID: 4646916

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)Cc4cccnc4)O
Chemical ID:
4646916
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)Cc4cccnc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28N2O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:7.79211
Area:737.876
Solvation:-10.6548
Coulombic:-74.8633
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:504.531
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.34
LogP (Chemaxon):1.44

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