Chemical ID: 5754994

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2
Chemical ID:
5754994
Name [?]:
5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2
InChi [?]:
InChI=1/C20H12Cl2N2O2S/c21-12-6-8-16(22)15(10-12)17-9-7-14(26-17)11-18-19(25)24-20(27-18)23-13-4-2-1-3-5-13/h1-11H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,15,23,16,20,13,21,4,14,19,24,17,12,10,8,26,25,7,9,11,18,27/E:(2,3)(4,5)/rA:27nCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s21;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5532
Area:598.383
Solvation:-3.40641
Coulombic:-35.6486
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:415.293
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):5.78

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