ChemDB: Chemical Search
Download
Chemical ID: 5182136
Chemical ID:
5182136
Name [?]:
4-(2-methoxyphenoxy)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccccc3OC)C
InChi [?]:
InChI=1/C22H24N2O3S/c1-15-10-12-17(13-11-15)21-16(2)28-22(24-21)23-20(25)9-6-14-27-19-8-5-4-7-18(19)26-3/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,27,23,22,17,24,21,16,3,7,4,6,18,2,9,5,25,20,14,8,11,13,12,15,26,19,10/E:(10,11)(12,13)/rA:28nCCCCCCCCCSCNNCOCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85873 |
Area: | 647.382 |
Solvation: | -6.32581 |
Coulombic: | -41.0445 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.86 |
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 |
---|