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Chemical ID: 7141702

Cc1ccc(cc1N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)SC2=S)C(=O)O

Chemical ID:

7141702

Name [?]:

3-[5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid

SMILES [?]:

Cc1ccc(cc1N2C(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)SC2=S)C(=O)O

InChi [?]:

InChI=1/C25H18ClNO4S2/c1-15-6-9-18(24(29)30)12-20(15)27-23(28)22(33-25(27)32)13-17-4-2-3-5-21(17)31-14-16-7-10-19(26)11-8-16/h2-13H,14H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,15,16,14,17,3,22,26,4,23,25,6,12,20,2,21,13,5,24,7,18,11,9,31,29,27,8,10,32,33,19,30,28/E:(7,8)(10,11)(29,30)/rA:33nCCCCCCCNCOCCCCCCCCOCCCCCCCClSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s11;s8s28;d29;s5;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈ClNO₄S₂
All Atoms:	51
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	14.213
Area:	724.303
Solvation:	-3.89455
Coulombic:	-56.6232

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.48
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

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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