Synonyms
1223105-89-2;2-[3,5-Bis(trifluoromethyl)anilino]-1-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-1-cyclobutene-3,4-dione;3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione, 98%, (99% ee);
IUPAC Name
3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]cyclobut-3-ene-1,2-dione;
Molecular Weight
547.501g/mol
Molecular Formula
C28H23F6N3O2;
Canonical SMILES
CN(C)C(C1=CC=CC=C1)C(C2=CC=CC=C2)NC3=C(C(=O)C3=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C28H23F6N3O2/c1-37(2)24(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)36-23-22(25(38)26(23)39)35-20-14-18(27(29,30)31)13-19(15-20)28(32,33)34/h3-15,21,24,35-36H,1-2H3/t21-,24-/m1/s1;
InChI Key
SQPFGTYBBLELED-ZJSXRUAMSA-N;
Complexity
897
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
547.169g/mol
H-Bond Acceptor
11
H-Bond Donor
2
Heavy Atom Count
39
Monoisotopic Mass
547.169g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
61.4A^2
