ChemDB: Chemical Search
Download
Chemical ID: 6218116
Chemical ID:
6218116
Name [?]:
N-[4-(4-ethylphenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C19H18N2O2S/c1-2-14-8-10-15(11-9-14)17-13-24-19(20-17)21-18(22)12-23-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,24,4,8,5,7,17,10,3,6,19,9,15,12,13,14,16,18,11/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCCSCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69001 |
Area: | 568.474 |
Solvation: | -4.52185 |
Coulombic: | -35.6816 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.08 |
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 |
---|