Name: Name:4-tert-butyl 9-methyl 7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4,9(5H)-dicarboxylate
Brand: Angene
SKU: AG01DG2S
Rating: 90 (10 reviews)

4-tert-butyl 9-methyl 7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4,9(5H)-dicarboxylate

CAS No.:

2018300-50-8

Catalog Number:

AG01DG2S

Molecular Formula:

C16H20BrNO5

Molecular Weight:

386.2377

Catalog Number:

AG01DG2S

Chemical Name:

4-tert-butyl 9-methyl 7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4,9(5H)-dicarboxylate

CAS Number:

2018300-50-8

Molecular Formula:

C16H20BrNO5

Molecular Weight:

386.2377

MDL Number:

MFCD31803426

IUPAC Name:

4-O-tert-butyl 9-O-methyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4,9-dicarboxylate

InChI:

InChI=1S/C16H20BrNO5/c1-16(2,3)23-15(20)18-5-6-22-13-10(9-18)7-11(17)8-12(13)14(19)21-4/h7-8H,5-6,9H2,1-4H3

InChI Key:

LBZYSDWKRGYYTK-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Br)cc2c1OCCN(C2)C(=O)OC(C)(C)C

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

385.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

386.242g/mol

Monoisotopic Mass:

385.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9