| Formula |
C21H24FN3O5 |
| IUPAC Name |
(2r)-2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-[(3r)-tetrahydrofuran-3-yl]oxy-phenyl]acetic acid |
| Molecular Mass |
417.431 g·mol−1 |
| Heat of Formation |
-807.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.96 ± 1.08 D |
| Volume |
478.73 Å 3 |
| Surface Area |
431.19 Å 2 |
| HOMO Energy |
-8.69 ± 0.55 eV |
| LUMO Energy |
2.52 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-({4-[amino(imino)methyl]phenyl}amino){5-ethoxy-2-fluoro-3-[(3r)-tetrahydrofuran-3-yloxy]phenyl}acetic acid
- (2r)-2-[(4-amidinophenyl)amino]-2-[5-ethoxy-2-fluoro-3-[(3r)-tetrahydrofuran-3-yl]oxy-phenyl]acetic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-[(3r)-oxolan-3-yl]oxy-phenyl]ethanoic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-[(3r)-tetrahydrofuran-3-yl]oxy-phenyl]acetic acid
- (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[5-ethoxy-2-fluoro-3-[[(3r)-3-tetrahydrofuranyl]oxy]phenyl]acetic acid
- (r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid
|
| InChIKey |
PGYOHIAQCFZQDK-AUUYWEPGSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
N
O
F
|
| |
|
