| Formula |
C26H25ClF3N5O3 |
| IUPAC Name |
n-[2-[4-(3-chloro-4-methoxy-anilino)-2,4a-dihydropyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methyl-butanamide trifluoride |
| Molecular Mass |
547.957 g·mol−1 |
| Heat of Formation |
-883.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
8.45 ± 1.08 D |
| Volume |
601.01 Å 3 |
| Surface Area |
482.3 Å 2 |
| HOMO Energy |
-8.49 ± 0.55 eV |
| LUMO Energy |
-0.76 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- n-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5-pyrrolo[2,3-e]pyrimidinyl]ethyl]-3-hydroxy-3-methylbutanamide
- n-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]pyrrolo[2,3-e]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methyl-butanamide
- n-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]pyrrolo[2,3-e]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methyl-butyramide
- n-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]pyrrolo[2,3-e]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide
|
| InChIKey |
ZYQXEVJIFYIBHZ-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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