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Chemical ID: 5426659
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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