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Chemical ID: 7141745
Chemical ID:
7141745
Name [?]:
3-(2,4-dimethoxyphenyl)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N(C(=S)S2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C21H21NO5S2/c1-5-27-16-9-6-13(10-18(16)26-4)11-19-20(23)22(21(28)29-19)15-8-7-14(24-2)12-17(15)25-3/h6-12H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,27,11,2,6,22,21,5,8,12,24,7,23,20,4,25,9,13,14,17,16,15,28,26,10,3,18,19/rA:29nCCOCCCCCCOCCCCONCSSCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO5S2 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.69371 |
Area: | 645.882 |
Solvation: | -7.45333 |
Coulombic: | -46.9025 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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