ChemDB: Chemical Search
Download
Chemical ID: 6452939
Chemical ID:
6452939
Name [?]:
5-(2-furylmethylene)-3-(o-tolyl)-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=Cc3ccco3)S2)c4ccccc4C
InChi [?]:
InChI=1/C22H18N2O2S/c1-15-8-3-5-11-18(15)23-22-24(19-12-6-4-9-16(19)2)21(25)20(27-22)14-17-10-7-13-26-17/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,4,24,5,23,17,3,25,16,6,22,18,14,2,26,15,7,21,13,11,9,8,10,12,19,20/rA:27nCCCCCCCNCNCOCCCCCCOSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s9s13;s10;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14997 |
Area: | 511.753 |
Solvation: | -3.64386 |
Coulombic: | -30.2501 |
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: | 3.95 |
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 |
---|