Chemical ID: 4573084

COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCC(=O)N
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

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