| Formula |
C28H22FN3O4 |
| IUPAC Name |
(1r,2r)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-6,7-dihydro-5h-1,8-naphthyridin-1-ium-7-ylium-3,5,6-triid-1-yl]benzene-4,5-diid-1-yl]-2-fluoro-phenyl]cyclopropanecarboxylic acid |
| Molecular Mass |
483.490 g·mol−1 |
| Heat of Formation |
-347.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.66 ± 1.08 D |
| Volume |
553.69 Å 3 |
| Surface Area |
483.4 Å 2 |
| HOMO Energy |
-9.10 ± 0.55 eV |
| LUMO Energy |
1.86 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (1r,2r)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-keto-1,8-naphthyridin-1-yl]phenyl]-2-fluoro-phenyl]cyclopropane-1-carboxylic acid
- (1r,2r)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluoro-phenyl]cyclopropane-1-carboxylic acid
- (1r,2r)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
- (1r,2r)-2-[4-[3-[3-[(cyclopropylamino)-oxomethyl]-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]-1-cyclopropanecarboxylic acid
|
| InChIKey |
PSYPBAHXIIVDCJ-FCHUYYIVSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
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