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Chemical ID: 7142438
Chemical ID:
7142438
Name [?]:
3-[5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3cc(ccc3C)C(=O)O
InChi [?]:
InChI=1/C20H17NO3S2/c1-3-13-5-7-14(8-6-13)10-17-18(22)21(20(25)26-17)16-11-15(19(23)24)9-4-12(16)2/h4-11H,3H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,2,21,4,8,5,7,20,9,18,22,3,6,19,17,10,11,24,14,13,12,25,26,15,16/E:(5,6)(7,8)(23,24)/rA:26nCCCCCCCCCCCONCSSCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO3S2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3175 |
Area: | 589.026 |
Solvation: | -2.40815 |
Coulombic: | -47.932 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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