ChemDB: Chemical Search
Download
Chemical ID: 5938693
Chemical ID:
5938693
Name [?]:
N-[4-[2-(2-chlorophenyl)aminothiazol-4-yl]phenyl]-4-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C22H15ClFN3OS/c23-18-3-1-2-4-19(18)26-22-27-20(13-29-22)14-7-11-17(12-8-14)25-21(28)15-5-9-16(24)10-6-15/h1-13H,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,23,27,14,18,24,26,15,17,11,13,22,25,16,4,5,10,20,8,29,28,19,7,9,21,12/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCNCNCCSCCCCCCNCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClFN3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2934 |
Area: | 632.741 |
Solvation: | -3.52512 |
Coulombic: | -45.4307 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.891 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.82 |
LogP (Chemaxon): | 6.35 |
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 |
---|