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Chemical ID: 5400576
Chemical ID:
5400576
Name [?]:
N-(4-fluorophenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C17H13FN2OS2/c18-13-6-8-14(9-7-13)19-16(21)11-23-17-20-15(10-22-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,8,13,4,20,17,7,14,10,23,16,11,15,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCCCSCNSCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13FN2OS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7998 |
Area: | 545.575 |
Solvation: | -3.83958 |
Coulombic: | -31.341 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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