Name: Name:8-benzyl 1-tert-butyl 2-cyano-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate
Brand: Angene
SKU: AG01DG77
Rating: 90 (10 reviews)

8-benzyl 1-tert-butyl 2-cyano-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate

CAS No.:

1823862-75-4

Catalog Number:

AG01DG77

Molecular Formula:

C22H29N3O4

Molecular Weight:

399.4834

Catalog Number:

AG01DG77

Chemical Name:

8-benzyl 1-tert-butyl 2-cyano-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate

CAS Number:

1823862-75-4

Molecular Formula:

C22H29N3O4

Molecular Weight:

399.4834

IUPAC Name:

8-O-benzyl 1-O-tert-butyl 2-cyano-1,8-diazaspiro[4.5]decane-1,8-dicarboxylate

InChI:

InChI=1S/C22H29N3O4/c1-21(2,3)29-20(27)25-18(15-23)9-10-22(25)11-13-24(14-12-22)19(26)28-16-17-7-5-4-6-8-17/h4-8,18H,9-14,16H2,1-3H3

InChI Key:

QBJSHXZRTPYLTA-UHFFFAOYSA-N

SMILES:

N#CC1CCC2(N1C(=O)OC(C)(C)C)CCN(CC2)C(=O)OCc1ccccc1

Complexity:

649

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.216g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.491g/mol

Monoisotopic Mass:

399.216g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2