Name: Name:2-Amino-7-(boc-methyl-amino)-5-fluoro-1h-indole-3-carboxylic acid ethyl ester
Brand: Angene
SKU: AG009K2A
Rating: 90 (10 reviews)

2-Amino-7-(boc-methyl-amino)-5-fluoro-1h-indole-3-carboxylic acid ethyl ester

CAS No.:

1400808-16-3

Catalog Number:

AG009K2A

Molecular Formula:

C17H22FN3O4

Molecular Weight:

351.3727

Catalog Number:

AG009K2A

Chemical Name:

2-Amino-7-(boc-methyl-amino)-5-fluoro-1h-indole-3-carboxylic acid ethyl ester

CAS Number:

1400808-16-3

Molecular Formula:

C17H22FN3O4

Molecular Weight:

351.3727

MDL Number:

MFCD28098117

IUPAC Name:

ethyl 2-amino-5-fluoro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1H-indole-3-carboxylate

InChI:

InChI=1S/C17H22FN3O4/c1-6-24-15(22)12-10-7-9(18)8-11(13(10)20-14(12)19)21(5)16(23)25-17(2,3)4/h7-8,20H,6,19H2,1-5H3

InChI Key:

OVPROAGCWVHHQG-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(N)[nH]c2c1cc(F)cc2N(C(=O)OC(C)(C)C)C

Complexity:

511

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.378g/mol

Monoisotopic Mass:

351.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3