Chemical ID: 4313209

c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C=C3C(=O)N(C(=O)S3)c4ccc(c(c4)Cl)Cl
Chemical ID:
4313209
Name [?]:
3-(3,4-dichlorophenyl)-5-[[5-(2,3-dichlorophenyl)-2-furyl]methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C=C3C(=O)N(C(=O)S3)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C20H9Cl4NO3S/c21-13-6-4-10(8-15(13)23)25-19(26)17(29-20(25)27)9-11-5-7-16(28-11)12-2-1-3-14(22)18(12)24/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,23,11,24,10,27,14,22,12,3,25,5,26,9,15,4,16,19,29,7,28,8,18,17,20,13,21/rA:29nCCCCCCClClCCCCOCCCONCOSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;w14;s15;d16;s16;s18;d19;s15s19;s18;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H9Cl4NO3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6491
Area:648.453
Solvation:-3.5622
Coulombic:-35.8369
Bond Count [?]
All:32
Single:21
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:485.167
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.28
LogP (Chemaxon):6.22

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