ChemDB: Chemical Search
Download
Chemical ID: 7040476
Chemical ID:
7040476
Name [?]:
[4-[3-(2-fluorophenyl)prop-2-enoyl]phenyl] 5-ethoxy-2-phenyl-benzofuran-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(o2)c3ccccc3)C(=O)Oc4ccc(cc4)C(=O)C=Cc5ccccc5F
InChi [?]:
InChI=1/C32H23FO5/c1-2-36-25-17-19-29-26(20-25)30(31(38-29)23-9-4-3-5-10-23)32(35)37-24-15-12-22(13-16-24)28(34)18-14-21-8-6-7-11-27(21)33/h3-20H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,34,35,33,14,18,36,24,26,31,23,27,5,30,6,9,32,25,13,22,4,8,37,28,7,10,11,19,38,29,20,3,21,12/E:(4,5)(9,10)(12,13)(15,16)/rA:38nCCOCCCCCCCCOCCCCCCCOOCCCCCCCOCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s13;d14;s15;d16;d13s17;s10;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;w30;s31;s32;d33;s34;d35;d32s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H23FO5 |
All Atoms: | 61 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2647 |
Area: | 761.682 |
Solvation: | -5.77733 |
Coulombic: | -50.0726 |
Bond Count [?]
All: | 42 |
Single: | 26 |
Double: | 16 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 506.52 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.76 |
LogP (Chemaxon): | 7.5 |
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 |
---|