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Chemical ID: 7141586
Chemical ID:
7141586
Name [?]:
3-[5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S)C(=O)O
InChi [?]:
InChI=1/C20H17NO5S2/c1-11-4-5-13(19(23)24)8-15(11)21-18(22)17(28-20(21)27)9-12-6-7-14(25-2)10-16(12)26-3/h4-10H,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,20,3,4,14,15,6,12,17,2,13,5,16,7,18,11,9,26,24,8,10,27,28,21,19,25,23/E:(23,24)/rA:28nCCCCCCCNCOCCCCCCCCOCOCSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s11;s8s23;d24;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO5S2 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6142 |
Area: | 614.875 |
Solvation: | -4.75762 |
Coulombic: | -60.6218 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.06 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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