Chemical ID: 5267975

c1ccc(cc1)COc2ccc3c(c2)OC(=Cc4ccncc4)C3=O
Chemical ID:
5267975
Name [?]:
6-benzyloxy-2-(4-pyridylmethylene)benzofuran-3-one
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)OC(=Cc4ccncc4)C3=O
InChi [?]:
InChI=1/C21H15NO3/c23-21-18-7-6-17(24-14-16-4-2-1-3-5-16)13-19(18)25-20(21)12-15-8-10-22-11-9-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,19,23,20,22,17,14,7,18,4,9,12,13,16,24,21,25,8,15/E:(2,3)(4,5)(8,9)(10,11)/rA:25nCCCCCCCOCCCCCCOCCCCCNCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s12s16;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.6512
Area:547.031
Solvation:-4.02458
Coulombic:-30.9942
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:329.349
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):3.54

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