Formula |
C21H31N5O3 |
IUPAC Name |
(10s)-10-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione |
Molecular Mass |
401.503 g·mol−1 |
Heat of Formation |
-455.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.68 ± 1.08 D |
Volume |
492.12 Å 3 |
Surface Area |
420.98 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
2.94 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6s)-6-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
- (6s)-6-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-quinone
- (6s)-6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
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InChIKey |
KOZNAHJIJGCFJJ-GOSISDBHSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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