ChemDB: Chemical Search
Download
Chemical ID: 6145944
Chemical ID:
6145944
Name [?]:
N-(4-phenylthiazol-2-yl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O2S/c1-21(2,3)16-11-7-8-12-18(16)25-13-19(24)23-20-22-17(14-26-20)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,7,8,22,26,6,9,12,19,21,5,18,10,13,16,2,17,15,14,11,20/E:(1,2,3)(5,6)(9,10)/rA:26nCCCCCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3982 |
Area: | 586.014 |
Solvation: | -4.25213 |
Coulombic: | -36.4371 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.85 |
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 |
---|