Chemical ID: 7142201

Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S)C(=O)O
Chemical ID:
7142201
Name [?]:
3-[5-[(2,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S)C(=O)O
InChi [?]:
InChI=1/C18H11Cl2NO3S2/c1-9-2-3-11(17(23)24)6-14(9)21-16(22)15(26-18(21)25)7-10-4-5-12(19)8-13(10)20/h2-8H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,6,12,17,2,13,5,16,18,7,11,9,24,22,20,19,8,10,25,26,23,21/E:(23,24)/rA:26nCCCCCCCNCOCCCCCCCCClClSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s16;s11;s8s21;d22;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11Cl2NO3S2
All Atoms:37
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.7289
Area:606.975
Solvation:-2.44551
Coulombic:-47.8148
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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