Chemical ID: 4507944

CC(=O)Nc1ncc(s1)Cc2cccc(c2)C(F)(F)F
Chemical ID:
4507944
Name [?]:
N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2OS/c1-8(19)18-12-17-7-11(20-12)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,16,10,7,2,11,15,8,5,17,18,19,20,6,4,3,9/E:(14,15,16)/rA:20nCCONCNCCSCCCCCCCCFFF/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F3N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.818
Area:464.638
Solvation:-3.79795
Coulombic:-43.3664
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.301
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.15
LogP (Chemaxon):3.2

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