| Formula |
C18H21F2N5O4S |
| IUPAC Name |
[4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)methanone |
| Molecular Mass |
441.452 g·mol−1 |
| Heat of Formation |
-826.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.30 ± 1.08 D |
| Volume |
478.01 Å 3 |
| Surface Area |
409.3 Å 2 |
| HOMO Energy |
-9.12 ± 0.55 eV |
| LUMO Energy |
-1.09 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)methanone
- [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(2,3-difluoro-6-methoxyphenyl)methanone
- [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)methanone
- [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
- lia
- r-547
|
| InChIKey |
JRNJNYBQQYBCLE-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
O
N
S
|
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