Synonyms
1346683-42-8;3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione, 98%, (99% ee);
IUPAC Name
3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione;
Molecular Weight
475.435g/mol
Molecular Formula
C22H23F6N3O2;
Canonical SMILES
C1CCC(C(C1)NC2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCCC4;
InChI
InChI=1S/C22H23F6N3O2/c23-21(24,25)12-9-13(22(26,27)28)11-14(10-12)29-17-18(20(33)19(17)32)30-15-5-1-2-6-16(15)31-7-3-4-8-31/h9-11,15-16,29-30H,1-8H2/t15-,16-/m0/s1;
InChI Key
CRIYFAISGRLYEW-HOTGVXAUSA-N;
Complexity
781
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
475.169g/mol
H-Bond Acceptor
11
H-Bond Donor
2
Heavy Atom Count
33
Monoisotopic Mass
475.169g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
61.4A^2
