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Chemical ID: 6847057
Chemical ID:
6847057
Name [?]:
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2c(=O)c3cc(cc(c3oc2c4ccc(cc4)OC)C)C
InChi [?]:
InChI=1/C28H27NO6/c1-5-33-22-12-8-20(9-13-22)29-24(30)16-34-28-25(31)23-15-17(2)14-18(3)26(23)35-27(28)19-6-10-21(32-4)11-7-19/h6-15H,5,16H2,1-4H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,35,34,33,2,27,31,6,8,28,30,5,9,21,19,13,20,22,26,7,29,4,18,11,16,23,25,15,10,12,17,32,3,14,24/E:(6,7)(8,9)(10,11)(12,13)/rA:35nCCOCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27NO6 |
All Atoms: | 62 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0364 |
Area: | 724.4 |
Solvation: | -7.07361 |
Coulombic: | -61.1208 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 473.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.53 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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