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Chemical ID: 7140583
Chemical ID:
7140583
Name [?]:
5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2
InChi [?]:
InChI=1/C20H10Cl4N2O2S/c21-12-6-4-10(8-14(12)23)16-7-5-11(28-16)9-17-19(27)26-20(29-17)25-15-3-1-2-13(22)18(15)24/h1-9H,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,6,2,22,17,23,18,26,15,21,16,24,5,25,3,19,14,4,12,10,28,7,27,8,9,11,13,20,29/rA:29nCCCCCCClClNCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s25;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H10Cl4N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9332 |
Area: | 656.622 |
Solvation: | -3.48233 |
Coulombic: | -36.4666 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 484.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.23 |
LogP (Chemaxon): | 6.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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