Chemical ID: 4894363

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)Cc4cccnc4)O
Chemical ID:
4894363
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-propoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)Cc4cccnc4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.35262
Area:715.372
Solvation:-8.53166
Coulombic:-77.5462
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:474.505
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.86
LogP (Chemaxon):2.13

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