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Chemical ID: 7143083
Chemical ID:
7143083
Name [?]:
5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-2-(2-hydroxy-5-methyl-phenyl)amino-thiazol-4-one
SMILES [?]:
Cc1ccc(c(c1)NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2)O
InChi [?]:
InChI=1/C21H14Cl2N2O3S/c1-11-2-6-17(26)16(8-11)24-21-25-20(27)19(29-21)10-13-4-7-18(28-13)12-3-5-14(22)15(23)9-12/h2-10,26H,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,21,16,22,4,17,7,25,14,2,20,15,23,24,6,5,18,13,11,9,27,26,8,10,29,12,19,28/rA:29nCCCCCCCNCNCOCCCCCCOCCCCCCClClSO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s24;s23;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14Cl2N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8369 |
Area: | 630.504 |
Solvation: | -3.92572 |
Coulombic: | -52.697 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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