Chemical ID: 7143341

CCc1ccc(cc1)NC2=NC(=O)C(=CC=Cc3ccccc3)S2
Chemical ID:
7143341
Name [?]:
5-cinnamylidene-2-(4-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccc(cc1)NC2=NC(=O)C(=CC=Cc3ccccc3)S2
InChi [?]:
InChI=1/C20H18N2OS/c1-2-15-11-13-17(14-12-15)21-20-22-19(23)18(24-20)10-6-9-16-7-4-3-5-8-16/h3-14H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,16,19,23,17,15,4,8,5,7,3,18,6,14,12,10,9,11,13,24/E:(4,5)(7,8)(11,12)(13,14)/rA:24nCCCCCCCCNCNCOCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;w16;s17;s18;d19;s20;d21;d18s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2OS
All Atoms:42
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:12.3673
Area:574.13
Solvation:-1.9859
Coulombic:-32.3252
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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