905807-62-7 Purity
96%
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Specification
The molecular formula is C17H18F3N3O2S.
It was created on May 28, 2009.
The IUPAC name is ethyl 2-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
The Canonical SMILES is CCOC(=O)C1=C(N=C(S1)N2CCNCC2)C3=CC=C(C=C3)C(F)(F)F.
The molecular weight is 385.4 g/mol.
There is 1 hydrogen bond donor count.
The XLogP3-AA value is 3.9.
There are 9 hydrogen bond acceptor counts.
The topological polar surface area is 82.7 Ų.
Yes, the compound is canonicalized.