Formula |
C22H32Cl2F2N4O3 |
IUPAC Name |
2-[(1s,2s,3r,6s)-3-chloro-6-[[2,2-difluoro-2-[(1r,2r)-1-hydroxy-2-piperidyl]ethyl]amino]-1-hydroxy-2-piperidyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide |
Molecular Mass |
509.417 g·mol−1 |
Heat of Formation |
-933.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.67 ± 1.08 D |
Volume |
576.4 Å 3 |
Surface Area |
424.79 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
2.72 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxy-2-piperidinyl)ethyl]amino]-1-hydroxy-2-piperidinyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
- 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxy-2-piperidyl)ethyl]amino]-1-hydroxy-2-piperidyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
- 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxypiperidin-2-yl)ethyl]amino]-1-hydroxy-piperidin-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]ethanamide
- 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxypiperidin-2-yl)ethyl]amino]-1-hydroxypiperidin-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
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InChIKey |
DSHKHCPRBRTWIO-RANJNGMFSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
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