Chemical ID: 7143304

CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OCC)O)S2
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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