Chemical ID: 4634346

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Cl)S2)C
Chemical ID:
4634346
Name [?]:
5-[[5-(4-chlorophenyl)-2-furyl]methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Cl)S2)C
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-13-9-14(2)11-17(10-13)24-22-25-21(26)20(28-22)12-18-7-8-19(27-18)15-3-5-16(23)6-4-15/h3-12H,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,21,25,22,24,16,17,3,7,5,14,2,4,20,23,6,15,18,13,11,9,26,8,10,12,19,27/E:(1,2)(3,4)(5,6)(10,11)(13,14)/rA:28nCCCCCCCNCNCOCCCCCCOCCCCCCClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s23;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.5311
Area:627.736
Solvation:-3.16231
Coulombic:-35.9327
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:408.901
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.24
LogP (Chemaxon):6.2

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Descriptor Annotations

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