Name: Name:tert-butyl (4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate
Brand: Angene
SKU: AG019EXR
Rating: 90 (10 reviews)

tert-butyl (4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate

CAS No.:

138027-01-7

Catalog Number:

AG019EXR

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

Catalog Number:

AG019EXR

Chemical Name:

tert-butyl (4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate

CAS Number:

138027-01-7

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

MDL Number:

MFCD31579932

IUPAC Name:

tert-butyl (4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate

InChI:

InChI=1S/C18H26N2O3/c1-18(2,3)23-17(21)20-12-15-16(13-20)22-10-9-19(15)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+/m0/s1

InChI Key:

CEDVAXOUBFPERN-JKSUJKDBSA-N

SMILES:

O=C(N1C[C@@H]2[C@H](C1)N(CCO2)Cc1ccccc1)OC(C)(C)C

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.417g/mol

Monoisotopic Mass:

318.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2