Chemical ID: 7012212

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
7012212
Name [?]:
1-benzyl-5-(4-butoxy-3-methoxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H28FNO5
All Atoms:64
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.0064
Area:733.238
Solvation:-8.32459
Coulombic:-62.5425
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:489.535
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.98
LogP (Chemaxon):4.84

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