ChemDB: Chemical Search
Download
Chemical ID: 4189320
Chemical ID:
4189320
Name [?]:
3-(4-ethoxyphenyl)-5-[(3-hydroxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
CCOc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)O)SC2=O
InChi [?]:
InChI=1/C18H15NO4S/c1-2-23-15-8-6-13(7-9-15)19-17(21)16(24-18(19)22)11-12-4-3-5-14(20)10-12/h3-11,20H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,6,8,5,9,20,14,15,7,19,4,13,11,23,10,21,12,24,3,22/E:(6,7)(8,9)/rA:24nCCOCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86682 |
Area: | 535.074 |
Solvation: | -4.51003 |
Coulombic: | -51.3484 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.56 |
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 |
---|