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Chemical ID: 4573084
Chemical ID:
4573084
Name [?]:
2-[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl]oxyacetamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)N
InChi [?]:
InChI=1/C20H19NO7/c1-24-16-7-11(8-17(25-2)20(16)26-3)6-15-19(23)13-5-4-12(9-14(13)28-15)27-10-18(21)22/h4-9H,10H2,1-3H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,19,18,13,4,6,21,25,5,20,17,22,14,3,7,26,15,8,28,27,16,2,11,9,24,23/E:(1,2)(7,8)(16,17)(24,25)/rA:28nCOCCCCCCOCOCCCCOCCCCCCOOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO7 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.06992 |
Area: | 590.692 |
Solvation: | -9.69737 |
Coulombic: | -69.7385 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 385.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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