ChemDB: Chemical Search
Download
Chemical ID: 4488970
Chemical ID:
4488970
Name [?]:
N-[4-(4-fluorophenyl)thiazol-2-yl]-4-phenoxy-butanamide
SMILES [?]:
c1ccc(cc1)OCCCC(=O)Nc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17FN2O2S/c20-15-10-8-14(9-11-15)17-13-25-19(21-17)22-18(23)7-4-12-24-16-5-2-1-3-6-16/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,3,5,10,20,24,21,23,8,17,19,22,4,16,11,14,25,15,13,12,7,18/E:(2,3)(5,6)(8,9)(10,11)/rA:25nCCCCCCOCCCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41753 |
Area: | 582.189 |
Solvation: | -5.13721 |
Coulombic: | -37.7768 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.79 |
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 |
---|