CAS 1223105-89-2 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione, 98%, (99% ee)

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

Defined Atom Stereocenter Count

Exact Mass

547.169g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

547.169g/mol

Rotatable Bond Count

Topological Polar Surface Area

61.4A^2