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Chemical ID: 7143061

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2)C(=O)O

Chemical ID:

7143061

Name [?]:

3-[5-[[5-(2-chlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid

SMILES [?]:

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccccc4Cl)S2)C(=O)O

InChi [?]:

InChI=1/C22H15ClN2O4S/c1-12-6-7-13(21(27)28)10-17(12)24-22-25-20(26)19(30-22)11-14-8-9-18(29-14)15-4-2-3-5-16(15)23/h2-11H,1H3,(H,27,28)(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,22,23,21,24,3,4,16,17,6,14,2,5,15,20,25,7,18,13,11,28,9,26,8,10,12,29,30,19,27/E:(27,28)/rA:30nCCCCCCCNCNCOCCCCCCOCCCCCCClSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;s25;s9s13;s5;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅ClN₂O₄S
All Atoms:	45
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6689
Area:	617.848
Solvation:	-4.77732
Coulombic:	-62.4053

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:	4.47
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value