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
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Synonyms
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- [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
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InChIKey |
QTPYRNAKLBXKNP-SFHVURJKSA-N |
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Elements |
H
C
F
O
N
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