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Chemical ID: 5733802
Chemical ID:
5733802
Name [?]:
2-(3-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1ccccc1C=C2C(=NC(=Nc3cccc(c3)O)S2)O
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-8-3-2-5-11(14)9-15-16(21)19-17(23-15)18-12-6-4-7-13(20)10-12/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,17,7,16,18,4,9,20,8,15,19,3,10,11,13,14,12,21,23,2,22/rA:23nCOCCCCCCCCCNCNCCCCCCOSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s10s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1865 |
Area: | 516.579 |
Solvation: | -3.72798 |
Coulombic: | -54.4742 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.91 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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