Chemical ID: 5729158

Cc1ccccc1N=C2N=C(C(=Cc3ccc(cc3)OCC=C)S2)O
Chemical ID:
5729158
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(o-tolylimino)thiazol-4-ol
SMILES [?]:
Cc1ccccc1N=C2N=C(C(=Cc3ccc(cc3)OCC=C)S2)O
InChi [?]:
InChI=1/C20H18N2O2S/c1-3-12-24-16-10-8-15(9-11-16)13-18-19(23)22-20(25-18)21-17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:23,1,22,4,5,3,6,15,19,16,18,21,13,2,14,17,7,12,11,9,8,10,25,20,24/E:(8,9)(10,11)/rA:25nCCCCCCCNCNCCCCCCCCCOCCCSO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2752
Area:572.389
Solvation:-3.03452
Coulombic:-41.0329
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:350.435
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):6.0

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