Formula |
C21H18ClF2N3O4 |
IUPAC Name |
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-pyrimidin-1-ium-5-id-1-yl]-n-(2-hydroxyethyl)-4-methyl-benzamide |
Molecular Mass |
449.835 g·mol−1 |
Heat of Formation |
-829.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.75 ± 1.08 D |
Volume |
486.25 Å 3 |
Surface Area |
426.81 Å 2 |
HOMO Energy |
-9.26 ± 0.55 eV |
LUMO Energy |
1.98 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[5-chloro-4-(2,4-difluorobenzyl)oxy-6-keto-pyrimidin-1-yl]-n-(2-hydroxyethyl)-4-methyl-benzamide
- 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-pyrimidinyl]-n-(2-hydroxyethyl)-4-methylbenzamide
- 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-pyrimidin-1-yl]-n-(2-hydroxyethyl)-4-methyl-benzamide
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InChIKey |
XIPYKUQAZQIESI-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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