Chemical ID: 5545446

COc1ccc2c(c1)occ2CC(=O)Nc3cccc4c3cccc4
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

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Descriptor Annotations

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