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Chemical ID: 7143304
Chemical ID:
7143304
Name [?]:
5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OCC)O)S2
InChi [?]:
InChI=1/C20H20N2O3S/c1-3-14-7-5-6-8-15(14)21-20-22-19(24)18(26-20)12-13-9-10-16(23)17(11-13)25-4-2/h5-12,23H,3-4H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,5,6,4,7,17,18,21,15,16,3,8,19,20,14,12,10,9,11,25,13,22,26/rA:26nCCCCCCCCNCNCOCCCCCCCCOCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4261 |
Area: | 591.46 |
Solvation: | -4.36036 |
Coulombic: | -53.3723 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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