Name: Name:1alpha,5alpha,6beta-3-Benzyl-6-dibenzylamino-3-aza-bicyclo[3.1.0]hexane-6-carbonitrile
Brand: Angene
SKU: AG00ANLI
Rating: 90 (10 reviews)

1alpha,5alpha,6beta-3-Benzyl-6-dibenzylamino-3-aza-bicyclo[3.1.0]hexane-6-carbonitrile

CAS No.:

164799-11-5

Catalog Number:

AG00ANLI

Molecular Formula:

C27H27N3

Molecular Weight:

393.5234

Catalog Number:

AG00ANLI

Chemical Name:

1alpha,5alpha,6beta-3-Benzyl-6-dibenzylamino-3-aza-bicyclo[3.1.0]hexane-6-carbonitrile

CAS Number:

164799-11-5

Molecular Formula:

C27H27N3

Molecular Weight:

393.5234

MDL Number:

MFCD28098163

IUPAC Name:

(1S,5R)-3-benzyl-6-(dibenzylamino)-3-azabicyclo[3.1.0]hexane-6-carbonitrile

InChI:

InChI=1S/C27H27N3/c28-21-27(25-19-29(20-26(25)27)16-22-10-4-1-5-11-22)30(17-23-12-6-2-7-13-23)18-24-14-8-3-9-15-24/h1-15,25-26H,16-20H2/t25-,26+,27?

InChI Key:

OPFXRNKNESEOCU-ZVBBVAIHSA-N

SMILES:

N#C[C@]1(N(Cc2ccccc2)Cc2ccccc2)[C@@H]2[C@H]1CN(C2)Cc1ccccc1

Complexity:

571

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.22g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

393.534g/mol

Monoisotopic Mass:

393.22g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5