Name: Name:ethyl 5-((4-methoxybenzyl)amino)-2,3,6,7-tetrahydrooxepine-4-carboxylate
Brand: Angene
SKU: AG01DJJH
Rating: 90 (10 reviews)

ethyl 5-((4-methoxybenzyl)amino)-2,3,6,7-tetrahydrooxepine-4-carboxylate

CAS No.:

2079871-57-9

Catalog Number:

AG01DJJH

Molecular Formula:

C17H23NO4

Molecular Weight:

305.3688

Catalog Number:

AG01DJJH

Chemical Name:

ethyl 5-((4-methoxybenzyl)amino)-2,3,6,7-tetrahydrooxepine-4-carboxylate

CAS Number:

2079871-57-9

Molecular Formula:

C17H23NO4

Molecular Weight:

305.3688

MDL Number:

MFCD31555406

IUPAC Name:

ethyl 5-[(4-methoxyphenyl)methylamino]-2,3,6,7-tetrahydrooxepine-4-carboxylate

InChI:

InChI=1S/C17H23NO4/c1-3-22-17(19)15-8-10-21-11-9-16(15)18-12-13-4-6-14(20-2)7-5-13/h4-7,18H,3,8-12H2,1-2H3

InChI Key:

HKDQGPQABFHGBK-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=C(CCOCC1)NCc1ccc(cc1)OC

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.374g/mol

Monoisotopic Mass:

305.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9