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Chemical ID: 7142955

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

Chemical ID:

7142955

Name [?]:

N-[4-[4-oxo-5-[[2-(p-tolylmethoxy)phenyl]methylene]thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

InChi [?]:

InChI=1/C26H23N3O3S/c1-17-7-9-19(10-8-17)16-32-23-6-4-3-5-20(23)15-24-25(31)29-26(33-24)28-22-13-11-21(12-14-22)27-18(2)30/h3-15H,16H2,1-2H3,(H,27,30)(H,28,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,13,12,14,11,3,7,4,6,26,28,25,29,16,8,2,31,5,15,27,24,10,17,18,21,30,23,20,32,19,9,22/E:(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCCCCCOCCCCCCCCCONCSNCCCCCCNCOC/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;s27;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃N₃O₃S
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.3504
Area:	720.16
Solvation:	-4.6536
Coulombic:	-57.3251

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.25
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