ChemDB: Chemical Search
Download
Chemical ID: 6266523
Chemical ID:
6266523
Name [?]:
2-(4-chlorophenoxy)-N-(4-tetralin-2-ylthiazol-2-yl)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2nc(cs2)c3ccc4c(c3)CCCC4)Cl
InChi [?]:
InChI=1/C21H19ClN2O2S/c22-17-7-9-18(10-8-17)26-12-20(25)24-21-23-19(13-27-21)16-6-5-14-3-1-2-4-15(14)11-16/h5-11,13H,1-4,12H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:25,24,26,23,19,18,2,4,1,5,22,8,15,20,21,17,3,6,14,9,12,27,13,11,10,7,16/E:(7,8)(9,10)/rA:27nCCCCCCOCCONCNCCSCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19ClN2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9731 |
Area: | 623.846 |
Solvation: | -4.62306 |
Coulombic: | -35.2141 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 398.907 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.96 |
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 |
---|