Name: Name:tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate
Brand: Angene
SKU: AG01EHZZ
Rating: 90 (10 reviews)

tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate

CAS No.:

2126177-04-4

Catalog Number:

AG01EHZZ

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

Catalog Number:

AG01EHZZ

Chemical Name:

tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate

CAS Number:

2126177-04-4

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

MDL Number:

MFCD31381136

IUPAC Name:

tert-butyl spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate

InChI:

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

InChI Key:

OQGDMOZDAOFOTF-UHFFFAOYSA-N

SMILES:

O=C(N1Cc2ccccc2OC2(C1)CCNCC2)OC(C)(C)C

Complexity:

427

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:

50.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3