Formula |
C21H24ClFN4O3 |
IUPAC Name |
[5-chloro-2-[2-[(2r,4s)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea |
Molecular Mass |
434.892 g·mol−1 |
Heat of Formation |
-566.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.10 ± 1.08 D |
Volume |
498.82 Å 3 |
Surface Area |
423.76 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-0.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [5-chloro-2-[2-[(2r)-4-(4-fluorobenzyl)-2-methyl-piperazin-1-yl]-2-keto-ethoxy]phenyl]urea
- [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]urea
- [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea
- [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
- urea, n-[5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-
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InChIKey |
XQYASZNUFDVMFH-CQSZACIVSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
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