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Chemical ID: 5545446
Chemical ID:
5545446
Name [?]:
2-(6-methoxybenzofuran-3-yl)-N-(1-naphthyl)acetamide
SMILES [?]:
COc1ccc2c(c1)occ2CC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C21H17NO3/c1-24-16-9-10-18-15(13-25-20(18)12-16)11-21(23)22-19-8-4-6-14-5-2-3-7-17(14)19/h2-10,12-13H,11H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,22,17,4,5,12,8,10,20,11,3,21,6,16,7,13,15,14,2,9/rA:25nCOCCCCCCOCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36676 |
Area: | 533.55 |
Solvation: | -4.97199 |
Coulombic: | -34.9138 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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