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Chemical ID: 5747138
Chemical ID:
5747138
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(o-tolylimino)thiazol-4-ol
SMILES [?]:
Cc1ccccc1N=C2N=C(C(=Cc3cccc(c3OC)OC)S2)O
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-7-4-5-9-14(12)20-19-21-18(22)16(25-19)11-13-8-6-10-15(23-2)17(13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,21,4,5,16,3,15,6,17,13,2,14,7,18,12,19,11,9,8,10,25,22,20,24/rA:25nCCCCCCCNCNCCCCCCCCCOCOCSO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55801 |
Area: | 552.461 |
Solvation: | -4.25352 |
Coulombic: | -46.5922 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.18 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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