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Chemical ID: 4579119
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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