Chemical ID: 5370306

Cc1cc(ccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Br)F
Chemical ID:
5370306
Name [?]:
2-[4-(4-bromophenyl)thiazol-2-yl]sulfanyl-N-(4-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nc(cs2)c3ccc(cc3)Br)F
InChi [?]:
InChI=1/C18H14BrFN2OS2/c1-11-8-14(20)6-7-15(11)21-17(23)10-25-18-22-16(9-24-18)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,5,6,3,16,11,2,18,21,4,7,15,9,13,24,25,8,14,10,17,12/E:(2,3)(4,5)/rA:25nCCCCCCCNCOCSCNCCSCCCCCCBrF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrFN2OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0824
Area:592.183
Solvation:-3.72218
Coulombic:-31.0913
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:437.351
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.89
LogP (Chemaxon):5.55

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