ChemDB: Chemical Search
Download
Chemical ID: 6467813
Chemical ID:
6467813
Name [?]:
5-[(4-chlorophenyl)methylene]-2-(4-ethoxyphenyl)imino-3-ethyl-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-3-23-19(24)18(13-14-5-7-15(21)8-6-14)26-20(23)22-16-9-11-17(12-10-16)25-4-2/h5-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,9,13,10,12,19,23,20,22,7,8,11,18,21,6,4,16,14,17,3,5,24,15/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCNCOCCCCCCCCClSCNCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s6;s3s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4735 |
Area: | 581.294 |
Solvation: | -3.05887 |
Coulombic: | -33.405 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.896 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 5.55 |
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 |
---|