ChemDB: Chemical Search
Download
Chemical ID: 7143575
Chemical ID:
7143575
Name [?]:
4-[5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O
InChi [?]:
InChI=1/C19H15NO4S2/c1-2-11-3-5-12(6-4-11)9-16-17(22)20(19(25)26-16)13-7-8-14(18(23)24)15(21)10-13/h3-10,21H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,18,19,9,22,3,6,17,20,21,10,11,24,14,13,23,12,25,26,15,16/E:(3,4)(5,6)(23,24)/rA:26nCCCCCCCCCCCONCSSCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s21;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO4S2 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9962 |
Area: | 584.312 |
Solvation: | -3.61157 |
Coulombic: | -62.4674 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.7 |
LogP (Chemaxon): | 5.23 |
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 |
---|