Chemical ID: 4749409

Cc1cc(sc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
4749409
Name [?]:
1-(4-methyl-2-thienyl)-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
Cc1cc(sc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2OS/c1-8-6-11(20-7-8)18-12(19)17-10-4-2-9(3-5-10)13(14,15)16/h2-7H,1H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,15,12,16,3,6,2,14,11,4,8,17,18,19,20,10,7,9,5/E:(2,3)(4,5)(14,15,16)/rA:20nCCCCSCNCONCCCCCCCFFF/rB:s1;s2;d3;s4;d2s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F3N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.4804
Area:456.69
Solvation:-2.93684
Coulombic:-53.0563
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.301
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):4.45

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