Chemical ID: 5881979

Cc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
5881979
Name [?]:
N-(6-methylbenzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H11F3N2OS/c1-9-5-6-12-13(7-9)23-15(20-12)21-14(22)10-3-2-4-11(8-10)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,7,19,2,14,18,5,6,12,9,20,21,22,23,10,11,13,8/E:(17,18,19)/rA:23nCCCCCCCSCNNCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11F3N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.32298
Area:501.264
Solvation:-3.20863
Coulombic:-46.7513
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.333
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.26
LogP (Chemaxon):5.49

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