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Chemical ID: 5940244
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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Experimental Annotations
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Descriptor Annotations
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