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Chemical ID: 7142984

Cc1ccc(cc1)COc2cccc(c2)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC

Chemical ID:

7142984

Name [?]:

2-(2,4-dimethoxyphenyl)amino-5-[[3-(p-tolylmethoxy)phenyl]methylene]thiazol-4-one

SMILES [?]:

Cc1ccc(cc1)COc2cccc(c2)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC

InChi [?]:

InChI=1/C26H24N2O4S/c1-17-7-9-18(10-8-17)16-32-21-6-4-5-19(13-21)14-24-25(29)28-26(33-24)27-22-12-11-20(30-2)15-23(22)31-3/h4-15H,16H2,1-3H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,31,12,13,11,3,7,4,6,26,25,15,16,28,8,2,5,14,27,10,24,29,17,18,21,23,20,19,32,30,9,22/E:(7,8)(9,10)/rA:33nCCCCCCCCOCCCCCCCCCONCSNCCCCCCOCOC/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;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₄S
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	12.3166
Area:	717.055
Solvation:	-5.60974
Coulombic:	-52.9313

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.25
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

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