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Chemical ID: 7522715
Chemical ID:
7522715
Name [?]:
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H14ClF3N2OS/c1-11-4-2-3-5-15(11)17(26)25-18-24-10-14(27-18)9-12-8-13(19(21,22)23)6-7-16(12)20/h2-8,10H,9H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,20,21,18,16,13,2,17,19,14,7,22,8,11,24,23,25,26,27,12,10,9,15/E:(21,22,23)/rA:27nCCCCCCCCONCNCCSCCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClF3N2OS |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0149 |
Area: | 579.75 |
Solvation: | -3.47886 |
Coulombic: | -47.1863 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.93 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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