Chemical ID: 6847369

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccc(cc3)OC)c4ccc(c(c4)OC)OC)C
Chemical ID:
6847369
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccc(cc3)OC)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C28H27NO7/c1-16-12-17(2)25-23(13-16)36-27(18-6-11-21(33-4)22(14-18)34-5)28(26(25)31)35-15-24(30)29-19-7-9-20(32-3)10-8-19/h6-14H,15H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,36,25,35,33,27,19,23,20,22,28,3,7,31,14,2,4,26,18,21,29,30,6,15,5,11,9,10,17,16,12,24,34,32,13,8/E:(7,8)(9,10)/rA:36nCCCCCCCOCCCOOCCONCCCCCCOCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s9;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO7
All Atoms:63
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.83243
Area:726.814
Solvation:-9.33791
Coulombic:-66.7879
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:489.517
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.96
LogP (Chemaxon):4.62

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