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Chemical ID: 7143085
Chemical ID:
7143085
Name [?]:
2-[5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2
InChi [?]:
InChI=1/C21H12Cl2N2O4S/c22-14-7-5-11(9-15(14)23)17-8-6-12(29-17)10-18-19(26)25-21(30-18)24-16-4-2-1-3-13(16)20(27)28/h1-10H,(H,27,28)(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,18,24,19,27,16,22,17,5,25,26,4,20,15,13,7,11,29,28,10,12,14,8,9,21,30/E:(27,28)/rA:30nCCCCCCCOONCNCOCCCCCCOCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s26;s25;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H12Cl2N2O4S |
All Atoms: | 42 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.4726 |
Area: | 650.022 |
Solvation: | -3.77799 |
Coulombic: | -64.2999 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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