5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide hydrochloride

• ChemBase ID: 313127
• Molecular Formular: C26H28ClN5O2
• Molecular Mass: 477.98582
• Monoisotopic Mass: 477.19315284
• SMILES: c12c([nH]cc1CCCCN1CCN(CC1)c1cc3c(cc1)oc(c3)C(=O)N)ccc(c2)C#N.Cl
• Canonical SMILES: N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2.Cl
• InChI: InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H
• InChIKey: RPZBRGFNBNQSOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide hydrochloride
• IUPAC Traditional name: vilazodone hydrochloride
• Synonyms: Vilazodone Hydrochloride

Database IDs

• CAS Number: 163521-08-2

CALCULATED PROPERTIES

• Acid pKa: 14.192648
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7569492
• LogD (pH = 7.4): 2.4867616
• Log P: 3.715304
• Molar Refractivity: 129.7114 cm^3
• Polarizability: 50.78926 Å^3
• Polar Surface Area: 102.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Hydrochloride