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Chemical ID: 7142283
Chemical ID:
7142283
Name [?]:
3-(4-ethylphenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)O)SC2=S
InChi [?]:
InChI=1/C19H17NO3S2/c1-3-12-4-7-14(8-5-12)20-18(22)17(25-19(20)24)11-13-6-9-15(21)16(10-13)23-2/h4-11,21H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,4,8,15,5,7,16,19,13,3,14,6,17,18,12,10,24,9,22,11,20,25,23/E:(4,5)(7,8)/rA:25nCCCCCCCCNCOCCCCCCCCOCOSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s12;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO3S2 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1868 |
Area: | 573.915 |
Solvation: | -4.1611 |
Coulombic: | -43.0862 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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