ChemDB: Chemical Search
Download
Chemical ID: 5723590
Chemical ID:
5723590
Name [?]:
2-(2,3-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
Cc1cccc(c1C)N=C2N=C(C(=Cc3ccc(c(c3)OC)O)S2)O
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-5-4-6-14(12(11)2)20-19-21-18(23)17(25-19)10-13-7-8-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,22,4,3,5,16,17,20,14,2,7,15,6,18,19,13,12,10,9,11,23,25,21,24/rA:25nCCCCCCCCNCNCCCCCCCCCOCOSO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70959 |
Area: | 558.961 |
Solvation: | -4.26443 |
Coulombic: | -54.3067 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 5.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|