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Chemical ID: 7142294
Chemical ID:
7142294
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-(2-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OCC)O)SC2=S
InChi [?]:
InChI=1/C20H19NO3S2/c1-3-14-7-5-6-8-15(14)21-19(23)18(26-20(21)25)12-13-9-10-16(22)17(11-13)24-4-2/h5-12,22H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,5,6,4,7,15,16,19,13,14,3,8,17,18,12,10,25,9,23,11,20,26,24/rA:26nCCCCCCCCNCOCCCCCCCCOCCOSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3S2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3571 |
Area: | 579.916 |
Solvation: | -4.14077 |
Coulombic: | -43.4553 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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