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Chemical ID: 7141673

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N(C(=S)S3)c4cc(ccc4C)C(=O)O

Chemical ID:

7141673

Name [?]:

4-methyl-3-[4-oxo-5-[[2-(p-tolylmethoxy)phenyl]methylene]-2-thioxo-thiazolidin-3-yl]-benzoic acid

SMILES [?]:

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N(C(=S)S3)c4cc(ccc4C)C(=O)O

InChi [?]:

InChI=1/C26H21NO4S2/c1-16-7-10-18(11-8-16)15-31-22-6-4-3-5-19(22)14-23-24(28)27(26(32)33-23)21-13-20(25(29)30)12-9-17(21)2/h3-14H,15H2,1-2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,30,13,12,14,11,3,7,28,4,6,27,25,16,8,2,29,5,15,26,24,10,17,18,31,21,20,19,32,33,9,22,23/E:(7,8)(10,11)(29,30)/rA:33nCCCCCCCCOCCCCCCCCCONCSSCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;d18;s18;s20;d21;s17s21;s20;s24;d25;s26;d27;d24s28;s29;s26;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁NO₄S₂
All Atoms:	54
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.9112
Area:	713.933
Solvation:	-3.93716
Coulombic:	-56.223

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.3
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

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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