Name: Name:tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-1'-carboxylate
Brand: Angene
SKU: AG01EHZT
Rating: 90 (10 reviews)

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

CAS No.:

2138428-38-1

Catalog Number:

AG01EHZT

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

Catalog Number:

AG01EHZT

Chemical Name:

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

CAS Number:

2138428-38-1

Molecular Formula:

C18H26N2O3

Molecular Weight:

318.4106

MDL Number:

MFCD31456796

IUPAC Name:

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

InChI:

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

InChI Key:

WAZUIOYARMXCEQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)CNCc1c(O2)cccc1)OC(C)(C)C

Complexity:

425

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