ChemDB: Chemical Search
Download
Chemical ID: 7048123
Chemical ID:
7048123
Name [?]:
[2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4c(oc5c4cc(cc5)OCC)C
InChi [?]:
InChI=1/C29H24O7/c1-4-32-19-8-6-18(7-9-19)14-26-28(30)22-12-10-21(16-25(22)36-26)35-29(31)27-17(3)34-24-13-11-20(33-5-2)15-23(24)27/h6-16H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,36,2,34,6,8,5,9,16,31,15,32,10,29,18,25,7,4,30,17,14,28,27,19,11,24,12,22,13,23,3,33,26,21,20/E:(6,7)(8,9)/rA:36nCCOCCCCCCCCCOCCCCCCOOCOCCOCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;d24;s25;s26;s24s27;d28;s29;d30;d27s31;s30;s33;s34;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24O7 |
All Atoms: | 60 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8912 |
Area: | 750.704 |
Solvation: | -5.8764 |
Coulombic: | -58.6637 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 484.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.33 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|