Name: Name:1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate
Brand: Angene
SKU: AG01B93M
Rating: 90 (10 reviews)

1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate

CAS No.:

75816-14-7

Catalog Number:

AG01B93M

Molecular Formula:

C18H21BrN2O5

Molecular Weight:

425.2737

Catalog Number:

AG01B93M

Chemical Name:

1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate

CAS Number:

75816-14-7

Molecular Formula:

C18H21BrN2O5

Molecular Weight:

425.2737

MDL Number:

MFCD28383776

IUPAC Name:

diethyl 2-acetamido-2-[(5-bromo-1H-indol-3-yl)methyl]propanedioate

InChI:

InChI=1S/C18H21BrN2O5/c1-4-25-16(23)18(21-11(3)22,17(24)26-5-2)9-12-10-20-15-7-6-13(19)8-14(12)15/h6-8,10,20H,4-5,9H2,1-3H3,(H,21,22)

InChI Key:

YJUUQEKJLOKAEX-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)OCC)(Cc1c[nH]c2c1cc(Br)cc2)NC(=O)C

Complexity:

524

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

425.279g/mol

Monoisotopic Mass:

424.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9