ChemDB: Chemical Search
Download
Chemical ID: 5749968
Chemical ID:
5749968
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-2-25-15-5-10(3-4-14(15)23)6-16-17(24)22-18(26-16)21-13-8-11(19)7-12(20)9-13/h3-9,23H,2H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,5,11,20,18,22,6,19,21,17,9,4,12,13,15,24,23,16,14,10,26,3,25/E:(8,9)(11,12)(19,20)/rA:26nCCOCCCCCCOCCCNCNCCCCCCClClSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s19;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2281 |
Area: | 616.306 |
Solvation: | -4.17959 |
Coulombic: | -54.4471 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 409.287 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.57 |
LogP (Chemaxon): | 5.88 |
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 |
---|