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Chemical ID: 7141724

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

Chemical ID:

7141724

Name [?]:

5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one

SMILES [?]:

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

InChi [?]:

InChI=1/C25H20ClNO2S2/c1-2-17-8-12-21(13-9-17)27-24(28)23(31-25(27)30)15-19-4-3-5-22(14-19)29-16-18-6-10-20(26)11-7-18/h3-15H,2,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,16,15,17,23,27,4,8,24,26,5,7,19,13,21,3,22,14,25,6,18,12,10,30,28,9,11,20,31,29/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCCNCOCCCCCCCCOCCCCCCCClSCS/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:	C₂₅H₂₀ClNO₂S₂
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	14.4494
Area:	704.82
Solvation:	-3.17113
Coulombic:	-30.0267

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:	6.54
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