Chemical ID: 5804411

c1ccc2c(c1)n(c(=S)o2)CNc3cccc(c3)C(F)(F)F
Chemical ID:
5804411
Name [?]:
3-[[3-(trifluoromethyl)phenyl]aminomethyl]benzooxazole-2-thione
SMILES [?]:
c1ccc2c(c1)n(c(=S)o2)CNc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C15H11F3N2OS/c16-15(17,18)10-4-3-5-11(8-10)19-9-20-12-6-1-2-7-13(12)21-14(20)22/h1-8,19H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,6,3,18,11,17,13,5,4,8,19,20,21,22,12,7,10,9/E:(16,17,18)/rA:22nCCCCCCNCSOCNCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s7;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.68585
Area:488.125
Solvation:-2.51727
Coulombic:-48.482
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.322
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.71
LogP (Chemaxon):5.9

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