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Chemical ID: 7141710

CCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)C)SC2=S

Chemical ID:

7141710

Name [?]:

3-(4-ethylphenyl)-5-[[3-(p-tolylmethoxy)phenyl]methylene]-2-thioxo-thiazolidin-4-one

SMILES [?]:

CCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)C)SC2=S

InChi [?]:

InChI=1/C26H23NO2S2/c1-3-19-11-13-22(14-12-19)27-25(28)24(31-26(27)30)16-21-5-4-6-23(15-21)29-17-20-9-7-18(2)8-10-20/h4-16H,3,17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,2,16,15,17,24,26,23,27,4,8,5,7,19,13,21,25,3,22,14,6,18,12,10,30,9,11,20,31,29/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCNCOCCCCCCCCOCCCCCCCCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s12;s9s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃NO₂S₂
All Atoms:	54
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	14.0864
Area:	692.565
Solvation:	-3.22767
Coulombic:	-29.639

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.36
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