Chemical ID: 6749226

COc1ccc(cc1)C(=C2C(NC(=O)C2=O)c3ccc(cc3OC)OC)O
Chemical ID:
6749226
Name [?]:
5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1)C(=C2C(NC(=O)C2=O)c3ccc(cc3OC)OC)O
InChi [?]:
InChI=1/C20H19NO6/c1-25-12-6-4-11(5-7-12)18(22)16-17(21-20(24)19(16)23)14-9-8-13(26-2)10-15(14)27-3/h4-10,17,22H,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,6,3,20,17,22,10,11,9,15,13,12,27,16,14,2,25,23/E:(4,5)(6,7)/rA:27cCOCCCCCCCCCNCOCOCCCCCCOCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;d13;s10s13;d15;s11;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO6
All Atoms:46
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:6.84209
Area:540.416
Solvation:-6.66831
Coulombic:-69.1575
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:369.368
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.16
LogP (Chemaxon):0.77

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