ChemDB: Chemical Search
Download
Chemical ID: 4676519
Chemical ID:
4676519
Name [?]:
5-(2-furylmethylene)-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C22H18N2O2S/c1-15-5-9-17(10-6-15)23-22-24(18-11-7-16(2)8-12-18)21(25)20(27-22)14-19-4-3-13-26-19/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,17,16,3,7,23,25,4,6,22,26,18,14,2,24,5,21,15,13,11,9,8,10,12,19,20/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCCCCNCNCOCCCCCCOSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s10;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39268 |
Area: | 520.808 |
Solvation: | -3.62752 |
Coulombic: | -30.0367 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.37 |
LogP (Chemaxon): | 6.16 |
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 |
---|