ChemDB: Chemical Search
Download
Chemical ID: 4361699
Chemical ID:
4361699
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-4-6-15(7-5-12)18(22)21-19-20-17(13(2)24-19)14-8-10-16(23-3)11-9-14/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,24,3,7,4,6,18,22,19,21,2,14,17,5,20,13,8,11,12,10,9,23,15/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCONCNCCSCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s13;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3371 |
Area: | 550.81 |
Solvation: | -3.43317 |
Coulombic: | -36.2787 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.66 |
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 |
---|