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Chemical ID: 6218184
Chemical ID:
6218184
Name [?]:
2-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H15F3N2OS/c20-19(21,22)15-8-4-7-14(9-15)10-16-12-23-18(26-16)24-17(25)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,22,16,7,13,4,17,21,14,8,11,23,24,25,26,12,10,9,15/E:(2,3)(5,6)(20,21,22)/rA:26nCCCCCCCCONCNCCSCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F3N2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88741 |
Area: | 569.333 |
Solvation: | -4.3459 |
Coulombic: | -45.3385 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.68 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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