Chemical ID: 5400576

c1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)F
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

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Descriptor Annotations

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