Chemical ID: 7143239

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)F)S2)C(=O)O
Chemical ID:
7143239
Name [?]:
3-[5-[(4-fluorophenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)F)S2)C(=O)O
InChi [?]:
InChI=1/C18H13FN2O3S/c1-10-2-5-12(17(23)24)9-14(10)20-18-21-16(22)15(25-18)8-11-3-6-13(19)7-4-11/h2-9H,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,16,20,4,17,19,14,6,2,15,5,18,7,13,11,23,9,21,8,10,12,24,25,22/E:(3,4)(6,7)(23,24)/rA:25nCCCCCCCNCNCOCCCCCCCCFSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13FN2O3S
All Atoms:38
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.64774
Area:536.705
Solvation:-3.76989
Coulombic:-60.4491
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.36
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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