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Chemical ID: 5750532
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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