Chemical ID: 5466183

c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)C3CC3
Chemical ID:
5466183
Name [?]:
N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)C3CC3
InChi [?]:
InChI=1/C15H13F3N2OS/c16-15(17,18)11-3-1-2-9(6-11)7-12-8-19-14(22-12)20-13(21)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,4,11,13,3,20,5,12,18,15,7,8,9,10,14,17,19,16/E:(4,5)(16,17,18)/rA:22nCCCCCCCFFFCCCNCSNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F3N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.94486
Area:506.084
Solvation:-3.70724
Coulombic:-44.3081
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.338
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.36
LogP (Chemaxon):3.88

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Descriptor Annotations

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