Chemical ID: 7143183

Cc1ccc(cc1NC2=NC(=O)C(=CC=Cc3ccco3)S2)C(=O)O
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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