Name: Name:Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate
Brand: Angene
SKU: AG009G5X
Rating: 90 (10 reviews)

Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate

CAS No.:

136285-69-3

Catalog Number:

AG009G5X

Molecular Formula:

C23H21N3O2

Molecular Weight:

371.4317

Catalog Number:

AG009G5X

Chemical Name:

Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate

CAS Number:

136285-69-3

Molecular Formula:

C23H21N3O2

Molecular Weight:

371.4317

MDL Number:

MFCD09030635

IUPAC Name:

ethyl 3-amino-2-[[4-(2-cyanophenyl)phenyl]methylamino]benzoate

InChI:

InChI=1S/C23H21N3O2/c1-2-28-23(27)20-8-5-9-21(25)22(20)26-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,26H,2,15,25H2,1H3

InChI Key:

QXQJYCWDJBDKKR-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cccc(c1NCc1ccc(cc1)c1ccccc1C#N)N

Complexity:

549

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.44g/mol

Monoisotopic Mass:

371.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8