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Chemical ID: 7143341
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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