ChemDB: Chemical Search
Download
Chemical ID: 6157977
Chemical ID:
6157977
Name [?]:
2-(2,4-dichlorophenoxy)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)COc2ccc(cc2Cl)Cl)c3ccccc3
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-2-16-18(12-6-4-3-5-7-12)23-19(26-16)22-17(24)11-25-15-9-8-13(20)10-14(15)21/h3-10H,2,11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,22,26,15,14,17,11,21,16,18,13,3,9,4,6,20,19,8,5,10,12,7/E:(4,5)(6,7)/rA:26nCCCCNCSNCOCOCCCCCCClClCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2746 |
Area: | 622.524 |
Solvation: | -5.28848 |
Coulombic: | -35.1105 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.86 |
LogP (Chemaxon): | 5.72 |
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 |
---|