ChemDB: Chemical Search
Download
Chemical ID: 4313209
Chemical ID:
4313209
Name [?]:
3-(3,4-dichlorophenyl)-5-[[5-(2,3-dichlorophenyl)-2-furyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C=C3C(=O)N(C(=O)S3)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C20H9Cl4NO3S/c21-13-6-4-10(8-15(13)23)25-19(26)17(29-20(25)27)9-11-5-7-16(28-11)12-2-1-3-14(22)18(12)24/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,23,11,24,10,27,14,22,12,3,25,5,26,9,15,4,16,19,29,7,28,8,18,17,20,13,21/rA:29nCCCCCCClClCCCCOCCCONCOSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;w14;s15;d16;s16;s18;d19;s15s19;s18;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H9Cl4NO3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6491 |
Area: | 648.453 |
Solvation: | -3.5622 |
Coulombic: | -35.8369 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 485.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.28 |
LogP (Chemaxon): | 6.22 |
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 |
---|