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Chemical ID: 7142981

Cc1ccc(cc1)COc2cccc(c2)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O

Chemical ID:

7142981

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)COc2cccc(c2)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O

InChi [?]:

InChI=1/C26H22N2O4S/c1-16-6-9-18(10-7-16)15-32-21-5-3-4-19(12-21)13-23-24(29)28-26(33-23)27-22-14-20(25(30)31)11-8-17(22)2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,30,12,13,11,3,7,28,4,6,27,15,16,25,8,2,29,5,14,26,10,24,17,18,31,21,23,20,19,32,33,9,22/E:(6,7)(9,10)(30,31)/rA:33nCCCCCCCCOCCCCCCCCCONCSNCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₄S
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.018
Area:	700.396
Solvation:	-4.4919
Coulombic:	-65.6469

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.26
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