ChemDB: Chemical Search
Download
Chemical ID: 4573301
Chemical ID:
4573301
Name [?]:
[2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-phenylprop-2-enoate
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C26H20O4/c1-2-18-8-10-20(11-9-18)16-24-26(28)22-14-13-21(17-23(22)30-24)29-25(27)15-12-19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,26,30,4,8,5,7,24,15,14,23,9,17,3,25,6,16,13,18,10,21,11,22,12,20,19/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCCCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1978 |
Area: | 620.769 |
Solvation: | -3.32146 |
Coulombic: | -39.4592 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.31 |
LogP (Chemaxon): | 6.01 |
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 |
---|