ChemDB: Chemical Search
Download
Chemical ID: 4836152
Chemical ID:
4836152
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(3,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-5-7-15(9-13(12)2)21-20-22-19(23)18(26-20)10-14-6-8-16(24-3)11-17(14)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,23,3,17,4,18,6,15,20,2,7,16,5,19,21,14,12,10,9,11,13,24,22,26/rA:26nCCCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5571 |
Area: | 581.072 |
Solvation: | -3.9697 |
Coulombic: | -43.3576 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.78 |
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 |
---|