Chemical ID: 7140472

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2
Chemical ID:
7140472
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-2-(2,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-13-7-9-18(14(2)11-13)24-22-25-21(26)20(28-22)12-15-8-10-19(27-15)16-5-3-4-6-17(16)23/h3-12H,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,23,24,22,25,3,17,4,18,7,15,2,6,16,21,26,5,19,14,12,10,27,9,11,13,20,28/rA:28nCCCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O2S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4287
Area:601.025
Solvation:-3.59686
Coulombic:-35.4348
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:5.03
LogP (Chemaxon):6.2

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Descriptor Annotations

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