Chemical ID: 7467537

Cc1cc(cc(c1OCC(=O)Nc2nc(cs2)c3ccc(cc3)F)C)Br
Chemical ID:
7467537
Name [?]:
2-(4-bromo-2,6-dimethyl-phenoxy)-N-[4-(4-fluorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cc(cc(c1OCC(=O)Nc2nc(cs2)c3ccc(cc3)F)C)Br
InChi [?]:
InChI=1/C19H16BrFN2O2S/c1-11-7-14(20)8-12(2)18(11)25-9-17(24)23-19-22-16(10-26-19)13-3-5-15(21)6-4-13/h3-8,10H,9H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,19,23,20,22,3,5,9,16,2,6,18,4,21,15,10,7,13,26,24,14,12,11,8,17/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:26nCCCCCCCOCCONCNCCSCCCCCCFCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16BrFN2O2S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.83704
Area:595.758
Solvation:-5.05691
Coulombic:-38.3586
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:435.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.92
LogP (Chemaxon):6.08

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Descriptor Annotations

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