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Chemical ID: 7141666

CCc1ccccc1N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)C)SC2=S

Chemical ID:

7141666

Name [?]:

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

SMILES [?]:

CCc1ccccc1N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)C)SC2=S

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,28,2,5,16,6,17,4,15,7,18,24,26,23,27,13,21,25,22,3,14,8,19,12,10,30,9,11,20,31,29/E:(12,13)(14,15)/rA:31nCCCCCCCCNCOCCCCCCCCOCCCCCCCCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;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:	13.7013
Area:	671.644
Solvation:	-3.08979
Coulombic:	-30.1386

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:	6.14
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