ChemDB: Chemical Search
Download
Chemical ID: 6839869
Chemical ID:
6839869
Name [?]:
N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-12-17(13-7-9-14(19)10-8-13)21-18(24-12)20-16(22)11-23-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,19,23,20,22,10,2,18,21,12,8,3,5,24,7,4,9,11,6/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCNCSNCOCOCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94103 |
Area: | 574.678 |
Solvation: | -4.42593 |
Coulombic: | -35.7957 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.73 |
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 |
---|