Chemical ID: 5426659

Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3C(F)(F)F)Cl
Chemical ID:
5426659
Name [?]:
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H14ClF3N2OS/c1-11-2-4-12(5-3-11)17(26)25-18-24-10-15(27-18)9-13-8-14(20)6-7-16(13)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,20,21,18,16,13,2,5,17,19,14,22,8,11,23,27,24,25,26,12,10,9,15/E:(2,3)(4,5)(21,22,23)/rA:27nCCCCCCCCONCNCCSCCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClF3N2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3593
Area:593.308
Solvation:-3.47337
Coulombic:-46.9904
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.841
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):5.91

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