(7S)-7-Amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-20-carboxamide
[CAS# 1612782-86-1]

Identification

• Name: (7S)-7-Amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-20-carboxamide
• Molecular Formula: C₂₄H₃₄FN₇O₂
• Molecular Weight: 471.57
• CAS Registry Number: 1612782-86-1
• SMILES: C(NCC1=CC=C(F)C=C1)(=O)C2=C3NC(N=C2)=NCCCCCCNC(=O)[C@@H](N)CCCCN3

Properties

• Solubility: Practically insoluble (0.057 g/L g/L) (25 °C), Calc.^*
• pKa: 9.48±0.40 (Most acidic 25 °C), Calc.^*
• Density: 1.32±0.1 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)