Chemical ID: 5661650

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC(C)C)[O-])C(=O)C1=O)c3cccc(c3OC)OC
Chemical ID:
5661650
Name [?]:
[1-(2-diethylammonioethyl)-2-(2,3-dimethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isopropoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC(C)C)[O-])C(=O)C1=O)c3cccc(c3OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H38N2O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-33.8377
Area:694.937
Solvation:-51.2111
Coulombic:-32.2601
Bond Count [?]
All:39
Single:30
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:510.622
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.84
LogP (Chemaxon):0.24

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