Chemical ID: 4748450

CC(C)c1ccc(cc1)NC(=S)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4748450
Name [?]:
1-(4-isopropylphenyl)-3-[3-(trifluoromethyl)phenyl]-thiourea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=S)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3N2S/c1-11(2)12-6-8-14(9-7-12)21-16(23)22-15-5-3-4-13(10-15)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,5,9,6,8,19,2,4,18,7,14,11,20,21,22,23,10,13,12/E:(1,2)(6,7)(8,9)(18,19,20)/rA:23nCCCCCCCCCNCSNCCCCCCCFFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17F3N2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9329
Area:513.386
Solvation:-1.90174
Coulombic:-44.8485
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.392
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.59
LogP (Chemaxon):6.32

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