ChemDB: Chemical Search
Download
Chemical ID: 6218073
Chemical ID:
6218073
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O3S/c1-2-11-25-16-7-3-14(4-8-16)18-13-27-20(22-18)23-19(24)12-26-17-9-5-15(21)6-10-17/h3-10,13H,2,11-12H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,23,25,6,10,22,26,3,19,12,8,24,5,21,11,17,14,27,15,16,18,4,20,13/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCOCCCCCCCCSCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4476 |
Area: | 650.877 |
Solvation: | -5.82435 |
Coulombic: | -42.2476 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.895 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.83 |
LogP (Chemaxon): | 5.3 |
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 |
---|