Chemical ID: 7034236

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OCC)OCC)Cc4ccncc4)O
Chemical ID:
7034236
Name [?]:
5-(3,4-diethoxyphenyl)-3-hydroxy-4-(4-propoxybenzoyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OCC)OCC)Cc4ccncc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H32N2O6
All Atoms:70
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:10.5303
Area:791.175
Solvation:-9.24911
Coulombic:-68.7335
Bond Count [?]
All:41
Single:29
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:516.585
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.76
LogP (Chemaxon):2.83

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