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Chemical ID: 7142201
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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