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Chemical ID: 5729158
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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