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Chemical ID: 4336992
Chemical ID:
4336992
Name [?]:
N-[4-[2-(2-fluorophenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccccc4F
InChi [?]:
InChI=1/C22H16FN3OS/c23-18-8-4-5-9-19(18)25-22-26-20(14-28-22)15-10-12-17(13-11-15)24-21(27)16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,24,3,5,26,23,12,14,11,15,17,13,4,10,27,22,16,7,19,28,9,21,20,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:28nCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16FN3OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6343 |
Area: | 602.576 |
Solvation: | -3.43011 |
Coulombic: | -46.0507 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.446 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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