Chemical ID: 5940244

c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3csc(n3)Nc4cccc(c4)F
Chemical ID:
5940244
Name [?]:
4-fluoro-N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3csc(n3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C22H15F2N3OS/c23-16-9-7-14(8-10-16)21(28)25-18-5-1-3-15(11-18)20-13-29-22(27-20)26-19-6-2-4-17(24)12-19/h1-13H,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,25,2,26,6,24,11,15,12,14,4,28,18,10,3,13,27,5,23,17,8,20,16,29,7,22,21,9,19/E:(7,8)(9,10)/rA:29nCCCCCCNCOCCCCCCFCCSCNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15F2N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6476
Area:608.479
Solvation:-4.56434
Coulombic:-47.613
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.437
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.36
LogP (Chemaxon):5.98

Name Annotations

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Descriptor Annotations

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