N-(Diphenylmethylene)alanine Methyl Ester - CAS 195600-97-6

Catalog:	BB074302
Product Name:	N-(Diphenylmethylene)alanine Methyl Ester
CAS:	195600-97-6
Synonyms:	methyl N-(diphenylmethylene)alaninate; methyl (2S)-2-(benzhydrylideneamino)propanoate; methyl-N-(diphenylmethylene)alaninate; N-Benzhydrylidene-L-alanine methyl ester; methyl (s)-2-(diphenylmethylidene-amino)propanoate

Technical Data

IUPAC Name:	methyl (2S)-2-(benzhydrylideneamino)propanoate
Description:	(rac)AIB-Precursor is used as a reagent in the preparation of cyclized sulfamoylarylamide derivatives for treatment of hepatitis B.
Molecular Weight:	267.32
Molecular Formula:	C17H17NO2
Canonical SMILES:	CC(C(=O)OC)N=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI:	InChI=1S/C17H17NO2/c1-13(17(19)20-2)18-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3/t13-/m0/s1
InChI Key:	JRWHHNOBMTWAPR-ZDUSSCGKSA-N

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	267.125928785
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9