Chemical ID: 7140494

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2
Chemical ID:
7140494
Name [?]:
5-[[5-(3-chlorophenyl)-2-furyl]methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2
InChi [?]:
InChI=1/C21H15ClN2O2S/c1-13-5-7-16(8-6-13)23-21-24-20(25)19(27-21)12-17-9-10-18(26-17)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,3,7,4,6,16,17,25,14,2,20,24,5,15,18,13,11,9,26,8,10,12,19,27/E:(5,6)(7,8)/rA:27nCCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s24;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClN2O2S
All Atoms:42
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5223
Area:594.266
Solvation:-3.3344
Coulombic:-36.0259
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:394.875
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.73

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue