[1-(4-Fluorobenzyl)Cyclobutyl]Methyl [(3S)-1,2-Dioxo-1-(1H-Pyrazol-3-Ylamino)Heptan-3-Yl]Carbamate

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Properties Simple | Detailed

Formula C23H29FN4O4
IUPAC Name [1-[(4-fluorophenyl)methyl]cyclobutyl]methyl n-[(1s)-1-[2-oxo-2-(4h-pyrazol-2-ium-4-id-3-ylamino)acetyl]pentyl]carbamate
Molecular Mass 444.499 g·mol−1
Heat of Formation -651.7 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 541.56 Å 3
Surface Area 446.68 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • [1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
  • [1-[(4-fluorophenyl)methyl]cyclobutyl]methyl n-[(1s)-1-[2-oxo-2-(2h-pyrazol-3-ylamino)acetyl]pentyl]carbamate
  • [1-[(4-fluorophenyl)methyl]cyclobutyl]methyl n-[(3s)-1,2-dioxo-1-(2h-pyrazol-3-ylamino)heptan-3-yl]carbamate
  • fsp
  • n-[(1s)-1-[1,2-dioxo-2-(2h-pyrazol-3-ylamino)ethyl]pentyl]carbamic acid [1-[(4-fluorophenyl)methyl]cyclobutyl]methyl ester
  • n-[(1s)-1-[2-keto-2-(2h-pyrazol-3-ylamino)acetyl]pentyl]carbamic acid [1-(4-fluorobenzyl)cyclobutyl]methyl ester
InChIKey QTPYRNAKLBXKNP-SFHVURJKSA-N
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