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Chemical ID: 7143068

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2

Chemical ID:

7143068

Name [?]:

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

SMILES [?]:

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(o3)c4cccc(c4)Cl)S2

InChi [?]:

InChI=1/C21H13ClN2O4S/c22-13-5-3-4-12(10-13)17-9-8-14(28-17)11-18-19(25)24-21(29-18)23-16-7-2-1-6-15(16)20(26)27/h1-11H,(H,26,27)(H,23,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,24,23,25,6,3,18,19,27,16,22,26,17,5,4,20,15,13,7,11,28,10,12,14,8,9,21,29/E:(26,27)/rA:29nCCCCCCCOONCNCOCCCCCCOCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s26;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₃ClN₂O₄S
All Atoms:	42
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.7832
Area:	622.455
Solvation:	-3.77823
Coulombic:	-64.2308

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.89
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