Name: Name:2-Benzofurancarboxylic acid, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-
Brand: Angene
SKU: AG001U6Y
Rating: 90 (10 reviews)

2-Benzofurancarboxylic acid, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-

CAS No.:

163521-19-5

Catalog Number:

AG001U6Y

Molecular Formula:

C26H26N4O3

Molecular Weight:

442.5096

Catalog Number:

AG001U6Y

Chemical Name:

2-Benzofurancarboxylic acid, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-

CAS Number:

163521-19-5

Molecular Formula:

C26H26N4O3

Molecular Weight:

442.5096

MDL Number:

MFCD09833264

IUPAC Name:

5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C26H26N4O3/c27-16-18-4-6-23-22(13-18)19(17-28-23)3-1-2-8-29-9-11-30(12-10-29)21-5-7-24-20(14-21)15-25(33-24)26(31)32/h4-7,13-15,17,28H,1-3,8-12H2,(H,31,32)

InChI Key:

RSXUEYFLDNUILS-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)O)c[nH]2

UNII:

93K783WZV4

Complexity:

730

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.519g/mol

Monoisotopic Mass:

442.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4