Formula |
C22H29ClN4O6 |
IUPAC Name |
2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide |
Molecular Mass |
480.942 g·mol−1 |
Heat of Formation |
-966.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.01 ± 1.08 D |
Volume |
556.87 Å 3 |
Surface Area |
436.74 Å 2 |
HOMO Energy |
-9.68 ± 0.55 eV |
LUMO Energy |
-1.66 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-diketo-1,2,4-triazin-2-yl]benzamide
- 2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
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InChIKey |
FUCKCIVGBCBZNP-MRXNPFEDSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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