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Home >> Chemical Listing >> A >> (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

(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]

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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 Structure CAS # 1612782-86-1, (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 ºC), Calc.*
pKa 9.48±0.40 (Most acidic 25 ºC), Calc.*
Density 1.32±0.1 g/cm3 (20 ºC 760 Torr), Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)
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