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Chemical ID: 7143394

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)C(=O)O

Chemical ID:

7143394

Name [?]:

3-[5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid

SMILES [?]:

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)C(=O)O

InChi [?]:

InChI=1/C22H14Cl2N2O4S/c1-11-5-6-12(21(28)29)9-16(11)25-22-26-20(27)18(31-22)10-13-7-8-17(30-13)19-14(23)3-2-4-15(19)24/h2-10H,1H3,(H,28,29)(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,3,4,16,17,6,14,2,5,15,21,25,7,18,13,20,11,29,9,27,26,8,10,12,30,31,19,28/E:(3,4)(14,15)(23,24)(28,29)/rA:31nCCCCCCCNCNCOCCCCCCOCCCCCCClClSCOO/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;s21;s9s13;s5;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₄Cl₂N₂O₄S
All Atoms:	45
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6427
Area:	651.274
Solvation:	-4.63914
Coulombic:	-62.7327

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	473.329
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.09
LogP (Chemaxon):	5.62

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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