Chemical ID: 4579119

COc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)N
Chemical ID:
4579119
Name [?]:
2-[2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetamide
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)N
InChi [?]:
InChI=1/C19H17NO6/c1-23-14-6-3-11(7-16(14)24-2)8-17-19(22)13-5-4-12(9-15(13)26-17)25-10-18(20)21/h3-9H,10H2,1-2H3,(H2,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,5,17,16,4,7,11,19,23,6,18,15,3,20,8,12,24,13,26,25,14,2,9,22,21/rA:26nCOCCCCCCOCCCCOCCCCCCOOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.38044
Area:562.728
Solvation:-8.68776
Coulombic:-62.393
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:355.341
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.76
LogP (Chemaxon):1.25

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