Chemical ID: 5750532

Cc1ccc(cc1C)N=C2N=C(C(=Cc3ccc(cc3OC)OC)S2)O
Chemical ID:
5750532
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(3,4-dimethylphenyl)imino-thiazol-4-ol
SMILES [?]:
Cc1ccc(cc1C)N=C2N=C(C(=Cc3ccc(cc3OC)OC)S2)O
InChi [?]:
InChI=1/C20H20N2O3S/c1-12-5-7-15(9-13(12)2)21-20-22-19(23)18(26-20)10-14-6-8-16(24-3)11-17(14)25-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,24,22,3,16,4,17,6,14,19,2,7,15,5,18,20,13,12,10,9,11,26,23,21,25/rA:26nCCCCCCCCNCNCCCCCCCCCOCOCSO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7142
Area:582.732
Solvation:-3.85408
Coulombic:-45.5464
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):5.47

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