ChemDB: Chemical Search
Download
Chemical ID: 5647346
Chemical ID:
5647346
Name [?]:
N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H18N2OS/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)27-23(24-20)25-22(26)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,19,24,26,18,20,23,27,17,21,3,7,4,6,2,5,22,16,8,9,14,11,12,13,15,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCCCCCCCSCNNCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.47 |
Area: | 586.382 |
Solvation: | -2.1895 |
Coulombic: | -32.4 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.79 |
LogP (Chemaxon): | 6.34 |
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 |
---|