Synonyms
2,4-Dibromo-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
IUPAC Name
2,4-dibromo-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
Molecular Weight
576.32
Molecular Formula
C29H24Br2N2O
InChI
AGQHXJKSKVNLJQ-VSGBNLITSA-N
InChI Key
InChI=1S/C29H24Br2N2O/c30-25-15-24(29(34)26(31)16-25)17-32-27(20-9-3-1-4-10-20)28(21-11-5-2-6-12-21)33-18-22-13-7-8-14-23(22)19-33/h1-17,27-28,34H,18-19H2/t27-,28-/m1/s1
Boiling Point
592.3±50.0 °C(Predicted)
Purity
93%
Complexity
649
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
576.02349
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
34
Isomeric SMILES
C1C2=CC=CC=C2CN1[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N=CC5=C(C(=CC(=C5)Br)Br)O
Monoisotopic Mass
574.02554
Rotatable Bond Count
6
Topological Polar Surface Area
35.8 Ų
