| Formula |
C22H22F3N5O3S |
| IUPAC Name |
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1h-quinolin-2-one |
| Molecular Mass |
493.502 g·mol−1 |
| Heat of Formation |
-343.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
13.68 ± 1.08 D |
| Volume |
514.23 Å 3 |
| Surface Area |
394.09 Å 2 |
| HOMO Energy |
-7.86 ± 0.55 eV |
| LUMO Energy |
-1.94 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-[[4-[(3-mesylbenzyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydrocarbostyril
- 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-3,4-dihydro-1h-quinolin-2-one
- 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1h-quinolin-2-one
|
| InChIKey |
HESLKTSGTIBHJU-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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