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Chemical ID: 7327747
Chemical ID:
7327747
Name [?]:
N-(4-ethoxyphenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)Cc2coc3c2ccc(c3)C
InChi [?]:
InChI=1/C19H19NO3/c1-3-22-16-7-5-15(6-8-16)20-19(21)11-14-12-23-18-10-13(2)4-9-17(14)18/h4-10,12H,3,11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,20,6,8,5,9,19,22,13,15,21,14,7,4,18,17,11,10,12,3,16/E:(5,6)(7,8)/rA:23nCCOCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56406 |
Area: | 528.198 |
Solvation: | -4.6409 |
Coulombic: | -34.1743 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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