Chemical ID: 5940265

c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3csc(n3)Nc4cccc(c4)F
Chemical ID:
5940265
Name [?]:
3-fluoro-N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3csc(n3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C22H15F2N3OS/c23-16-6-1-5-15(10-16)21(28)25-18-8-2-4-14(11-18)20-13-29-22(27-20)26-19-9-3-7-17(24)12-19/h1-13H,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:12,1,25,2,11,13,26,6,24,15,4,28,18,3,10,14,27,5,23,17,8,20,16,29,7,22,21,9,19/rA:29nCCCCCCNCOCCCCCCFCCSCNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;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:10.6815
Area:608.926
Solvation:-4.54162
Coulombic:-47.5155
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

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Descriptor Annotations

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