Name: Name:3-Cyclobutene-1,2-dione, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-
Brand: Angene
SKU: AG00172X
Rating: 90 (10 reviews)

3-Cyclobutene-1,2-dione, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-

CAS No.:

1223105-89-2

Catalog Number:

AG00172X

Molecular Formula:

C28H23F6N3O2

Molecular Weight:

547.4915

Catalog Number:

AG00172X

Chemical Name:

3-Cyclobutene-1,2-dione, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-

CAS Number:

1223105-89-2

Molecular Formula:

C28H23F6N3O2

Molecular Weight:

547.4915

MDL Number:

MFCD30489128

IUPAC Name:

3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]cyclobut-3-ene-1,2-dione

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

SMILES:

CN([C@@H]([C@@H](c1ccccc1)NC1=C(C(=O)C1=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1)C

Complexity:

897

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

547.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

547.501g/mol

Monoisotopic Mass:

547.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.4