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Chemical ID: 5748172
Chemical ID:
5748172
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazol-4-ol
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=NC(=Nc3ccc(cc3)O)S2)O
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-8-3-11(15(10-14)24-2)9-16-17(22)20-18(25-16)19-12-4-6-13(21)7-5-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,18,22,19,21,4,11,8,6,17,20,3,7,12,13,15,16,14,23,25,2,9,24/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCCCNCNCCCCCCOSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07804 |
Area: | 556.268 |
Solvation: | -4.82867 |
Coulombic: | -60.7242 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.82 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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