Chemical ID: 5729738

Cc1cccc(c1)N=C2N=C(C(=Cc3cccc(c3OC)OC)S2)O
Chemical ID:
5729738
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(m-tolylimino)thiazol-4-ol
SMILES [?]:
Cc1cccc(c1)N=C2N=C(C(=Cc3cccc(c3OC)OC)S2)O
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-8-14(10-12)20-19-21-18(22)16(25-19)11-13-7-5-9-15(23-2)17(13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,21,4,16,3,15,5,17,7,13,2,14,6,18,12,19,11,9,8,10,25,22,20,24/rA:25nCCCCCCCNCNCCCCCCCCCOCOCSO/rB:s1;s2;d3;s4;d5;d2s6;s6;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:9.60392
Area:554.899
Solvation:-4.26855
Coulombic:-46.4383
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:3.4
LogP (Chemaxon):5.0

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