Chemical ID: 7022940

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4C)OCC
Chemical ID:
7022940
Name [?]:
4-(4-ethoxy-2-methyl-benzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4C)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H38N2O6
All Atoms:76
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.0794
Area:772.922
Solvation:-8.24367
Coulombic:-70.3354
Bond Count [?]
All:41
Single:32
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:522.633
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.48
LogP (Chemaxon):1.19

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