ChemDB: Chemical Search
Download
Chemical ID: 5415441
Chemical ID:
5415441
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-2-(4-tert-butylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2nc(cs2)C(C)(C)C)F
InChi [?]:
InChI=1/C16H19FN2OS2/c1-10-5-6-11(17)7-12(10)18-14(20)9-22-15-19-13(8-21-15)16(2,3)4/h5-8H,9H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,3,4,6,16,11,2,5,7,15,9,13,18,22,8,14,10,17,12/E:(2,3,4)/rA:22nCCCCCCCNCOCSCNCCSCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19FN2OS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95469 |
Area: | 539.369 |
Solvation: | -3.52954 |
Coulombic: | -30.2378 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 4.7 |
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 |
---|