ChemDB: Chemical Search
Download
Chemical ID: 5387479
Chemical ID:
5387479
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C)F
InChi [?]:
InChI=1/C19H17FN2OS2/c1-12-3-6-14(7-4-12)17-10-24-19(22-17)25-11-18(23)21-16-9-15(20)8-5-13(16)2/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,22,4,6,21,19,9,14,2,23,5,20,18,8,15,11,25,17,12,16,10,13/E:(3,4)(6,7)/rA:25nCCCCCCCCCSCNSCCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.868 |
Area: | 586.619 |
Solvation: | -3.79747 |
Coulombic: | -31.1227 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.53 |
LogP (Chemaxon): | 5.23 |
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 |
---|