Chemical ID: 7032950

CCOc1cc(ccc1OCC=C)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)C
Chemical ID:
7032950
Name [?]:
5-(4-allyloxy-3-ethoxy-phenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H28N2O5
All Atoms:64
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.682
Area:748.104
Solvation:-8.0206
Coulombic:-63.4919
Bond Count [?]
All:39
Single:26
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:484.543
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.69
LogP (Chemaxon):3.17

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