ChemDB: Chemical Search
Download
Chemical ID: 7040402
Chemical ID:
7040402
Name [?]:
[3-[3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(o2)C)C(=O)Oc3cccc(c3)C=CC(=O)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C29H26O7/c1-5-34-21-11-14-26-24(16-21)28(18(2)35-26)29(31)36-22-8-6-7-19(15-22)9-13-25(30)23-12-10-20(32-3)17-27(23)33-4/h6-17H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,36,34,2,19,20,18,23,29,5,28,24,6,22,9,31,11,21,30,4,17,27,8,25,7,32,10,14,26,15,35,33,3,12,16/rA:36nCCOCCCCCCCCOCCOOCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;w23;s24;d25;s25;s27;d28;s29;d30;d27s31;s32;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26O7 |
All Atoms: | 62 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8186 |
Area: | 762.344 |
Solvation: | -8.24004 |
Coulombic: | -55.5953 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 486.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.71 |
LogP (Chemaxon): | 5.42 |
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 |
---|