Chemical ID: 4354260

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC)c3ccc(cc3)OC
Chemical ID:
4354260
Name [?]:
1-(2-diethylaminoethyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.0155
Area:707.035
Solvation:-6.66038
Coulombic:-62.6931
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:452.543
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.15
LogP (Chemaxon):0.14

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