Name: Name:1-Pyrrolidinecarboxylic acid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (S)-
Brand: Angene
SKU: AG00BF6S
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (S)-

CAS No.:

199659-03-5

Catalog Number:

AG00BF6S

Molecular Formula:

C21H19BrN2O3

Molecular Weight:

427.2912

Catalog Number:

AG00BF6S

Chemical Name:

1-Pyrrolidinecarboxylic acid, 2-[(5-bromo-1H-indol-3-yl)carbonyl]-, phenylmethyl ester, (S)-

CAS Number:

199659-03-5

Molecular Formula:

C21H19BrN2O3

Molecular Weight:

427.2912

MDL Number:

MFCD22124901

IUPAC Name:

benzyl (2S)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

InChI:

InChI=1S/C21H19BrN2O3/c22-15-8-9-18-16(11-15)17(12-23-18)20(25)19-7-4-10-24(19)21(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13H2/t19-/m0/s1

InChI Key:

CWHKVBJSRGJFFN-IBGZPJMESA-N

SMILES:

Brc1ccc2c(c1)c(c[nH]2)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

Complexity:

552

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

427.298g/mol

Monoisotopic Mass:

426.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4