Benzoic acid, 4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)(2,2,2-trifluoroacetyl)amino]-, 2,2,2-trifluoroacetate (1:1)
Properties
- Molecular formula
- C21H25F6N3O6
- Molar mass
- 529.44 g/mol
- Exact mass
- 529.1648 Da
- logP
- 2.84Crippen estimate
- Polar surface area
- 110.6 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 4
Identifiers
CAS number
1034975-62-6SMILES
CN1CCN(c2ccc(C(=O)O)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)CC1.O=C(O)C(F)(F)FInChIKey
JKABYDPZTNAPTE-UHFFFAOYSA-NInChI
InChI=1S/C19H24F3N3O4.C2HF3O2/c1-23-6-8-24(9-7-23)14-2-3-15(17(26)27)16(12-14)25(18(28)19(20,21)22)13-4-10-29-11-5-13;3-2(4,5)1(6)7/h2-3,12-13H,4-11H2,1H3,(H,26,27);(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(4-Methylpiperazin-1-yl)-2-[(tetrahydropyran-4-yl)(2,2,2-trifluoroacetyl)amino]benzoic acid trifluoroacetate
Work with Benzoic acid, 4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)(2,2,2-trifluoroacetyl)amino]-, 2,2,2-trifluoroacetate (1:1)
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds