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Chemical ID: 7143183
Chemical ID:
7143183
Name [?]:
3-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=CC=Cc3ccco3)S2)C(=O)O
InChi [?]:
InChI=1/C18H14N2O4S/c1-11-7-8-12(17(22)23)10-14(11)19-18-20-16(21)15(25-18)6-2-4-13-5-3-9-24-13/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,19,16,18,14,3,4,20,6,2,5,17,7,13,11,23,9,8,10,12,24,25,21,22/E:(22,23)/rA:25nCCCCCCCNCNCOCCCCCCCCOSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;w15;s16;d17;s18;d19;s17s20;s9s13;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O4S |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.80098 |
Area: | 561.337 |
Solvation: | -4.23245 |
Coulombic: | -62.851 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.17 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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