Synonyms
1211565-11-5;CHEMBL3798297;3-[(2alpha-Piperidinocyclohexane-1beta-yl)amino]-4-[3,5-bis(trifluoromethyl)anilino]-3-cyclobutene-1,2-dione;3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(1-piperidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione, 98%;
IUPAC Name
3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1R,2R)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione;
Molecular Weight
489.462g/mol
Molecular Formula
C23H25F6N3O2;
Canonical SMILES
C1CCN(CC1)C2CCCCC2NC3=C(C(=O)C3=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C23H25F6N3O2/c24-22(25,26)13-10-14(23(27,28)29)12-15(11-13)30-18-19(21(34)20(18)33)31-16-6-2-3-7-17(16)32-8-4-1-5-9-32/h10-12,16-17,30-31H,1-9H2/t16-,17-/m1/s1;
InChI Key
XUZPZFXQOUOXFH-IAGOWNOFSA-N;
Complexity
797
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
489.185g/mol
H-Bond Acceptor
11
H-Bond Donor
2
Heavy Atom Count
34
Monoisotopic Mass
489.185g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
61.4A^2
