ChemDB: Chemical Search
Download
Chemical ID: 6266946
Chemical ID:
6266946
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-phenoxy-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCOc2ccccc2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-14-19(15-8-10-16(24-2)11-9-15)22-20(26-14)21-18(23)12-13-25-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,15,17,14,18,20,24,21,23,10,11,2,19,22,13,8,3,5,7,4,9,25,12,6/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCNCSNCOCCOCCCCCCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s3;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.433 |
Area: | 601.875 |
Solvation: | -4.61385 |
Coulombic: | -42.0315 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 4.14 |
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 |
---|