ChemDB: Chemical Search
Download
Chemical ID: 7254943
Chemical ID:
7254943
Name [?]:
4-(3,4-dimethoxyphenyl)-2-phenyl-thiazole
SMILES [?]:
COc1ccc(cc1OC)c2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C17H15NO2S/c1-19-15-9-8-13(10-16(15)20-2)14-11-21-17(18-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,18,20,17,21,5,4,7,12,16,6,11,3,8,14,15,2,9,13/E:(4,5)(6,7)/rA:21nCOCCCCCCOCCCSCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO2S |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79142 |
Area: | 496.033 |
Solvation: | -4.6094 |
Coulombic: | -22.1383 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.27 |
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 |
---|