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Chemical ID: 6847368
Chemical ID:
6847368
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccccc3OC)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C28H27NO7/c1-16-12-17(2)25-23(13-16)36-27(18-10-11-21(33-4)22(14-18)34-5)28(26(25)31)35-15-24(30)29-19-8-6-7-9-20(19)32-3/h6-14H,15H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,36,25,35,33,20,21,19,22,27,28,3,7,31,14,2,4,26,18,23,29,30,6,15,5,11,9,10,17,16,12,24,34,32,13,8/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;s23;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: | 9.27621 |
Area: | 725.359 |
Solvation: | -8.85776 |
Coulombic: | -68.2263 |
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
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Experimental Annotations
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Descriptor Annotations
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