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Chemical ID: 5827395

Cc1ccc(c(c1)C=C2C(=O)N(C(=S)S2)c3c(cccc3C)C)OCc4ccccc4Cl

Chemical ID:

5827395

Name [?]:

5-[[2-[(2-chlorophenyl)methoxy]-5-methyl-phenyl]methylene]-3-(2,6-dimethylphenyl)-2-thioxo-thiazolidin-4-one

SMILES [?]:

Cc1ccc(c(c1)C=C2C(=O)N(C(=S)S2)c3c(cccc3C)C)OCc4ccccc4Cl

InChi [?]:

InChI=1/C26H22ClNO2S2/c1-16-11-12-22(30-15-19-9-4-5-10-21(19)27)20(13-16)14-23-25(29)28(26(31)32-23)24-17(2)7-6-8-18(24)3/h4-14H,15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,23,28,29,19,20,18,27,30,3,4,7,8,25,2,21,17,26,6,31,5,9,16,10,13,32,12,11,24,14,15/E:(2,3)(7,8)(17,18)/rA:32nCCCCCCCCCCONCSSCCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s21;s17;s5;s24;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClNO₂S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6328
Area:	686.863
Solvation:	-2.53878
Coulombic:	-30.2853

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	480.043
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.53
LogP (Chemaxon):	7.93

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value