Chemical ID: 6847116

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccc(cc4)OC)C
Chemical ID:
6847116
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C28H27NO7/c1-16-12-17(2)26-21(13-16)25(31)28(27(36-26)18-6-11-22(33-4)23(14-18)34-5)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:1,36,35,22,20,14,29,33,30,32,15,3,7,18,24,2,4,13,28,31,6,16,17,25,8,5,11,10,27,26,9,34,21,19,23,12/E:(7,8)(9,10)/rA:36nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO7
All Atoms:63
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.8391
Area:726.91
Solvation:-9.33364
Coulombic:-66.8477
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:4.75
LogP (Chemaxon):4.62

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Descriptor Annotations

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