ChemDB: Chemical Search
Download
Chemical ID: 7141569
Chemical ID:
7141569
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H19NO3S2/c1-4-13-8-10-15(11-9-13)21-19(22)17(26-20(21)25)12-14-6-5-7-16(23-2)18(14)24-3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,16,15,17,4,8,5,7,13,3,14,6,18,12,19,10,25,9,11,22,20,26,24/E:(8,9)(10,11)/rA:26nCCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3S2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4434 |
Area: | 592.415 |
Solvation: | -4.367 |
Coulombic: | -34.9821 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.86 |
LogP (Chemaxon): | None |
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 |
---|