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Chemical ID: 7142956

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

Chemical ID:

7142956

Name [?]:

2-[4-oxo-5-[[2-(p-tolylmethoxy)phenyl]methylene]thiazol-2-yl]aminobenzoic acid

SMILES [?]:

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

InChi [?]:

InChI=1/C25H20N2O4S/c1-16-10-12-17(13-11-16)15-31-21-9-5-2-6-18(21)14-22-23(28)27-25(32-22)26-20-8-4-3-7-19(20)24(29)30/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,13,27,26,12,14,28,25,11,3,7,4,6,16,8,2,5,15,29,24,10,17,18,30,21,23,20,19,31,32,9,22/E:(10,11)(12,13)(29,30)/rA:32nCCCCCCCCOCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀N₂O₄S
All Atoms:	52
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	13.2188
Area:	681.81
Solvation:	-3.8265
Coulombic:	-67.1758

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.67
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