(1S)-1-{2-[4-(4-Carbamoylphenyl)-1-Piperazinyl]Ethyl}-N-Methyl-3,4-Dihydro-1H-Isochromene-6-Carboxamide
[CAS# 187665-65-2]

Identification

• Name: (1S)-1-{2-[4-(4-Carbamoylphenyl)-1-Piperazinyl]Ethyl}-N-Methyl-3,4-Dihydro-1H-Isochromene-6-Carboxamide
• Synonyms: (1S)-1-[2-[4-[4-(Aminocarbonyl)phenyl]-1-piperazinyl]ethyl]-3,4-dihydro-N-methyl-1H-2-benzopyran-6-carboxamide; (S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide; [187665-65-2]
• Molecular Formula: C₂₄H₃₀N₄O₃
• Molecular Weight: 422.52
• CAS Registry Number: 187665-65-2
• SMILES: CNC(=O)C1=CC2=C(C=C1)[C@@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)N
• InChI: 1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
• InChIKey: PNTVCCRNJOGKGA-QFIPXVFZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 652.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 348.4±31.5°C (Cal.)
• Refractive index: 1.596 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 20 mM in ethanol