Formula |
C22H25FN4O2 |
IUPAC Name |
5-[(z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)pyrrol-1-ium-5-ylium-3-carboxamide |
Molecular Mass |
396.458 g·mol−1 |
Heat of Formation |
-312.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.09 ± 1.08 D |
Volume |
474.21 Å 3 |
Surface Area |
418.78 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
-1.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[(z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
- 5-[(z)-(5-fluoro-2-oxo-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
- 5-[(z)-(5-fluoro-2-oxo-3-indolinylidene)methyl]-2,4-dimethyl-n-(2-1-pyrrolidinylethyl)-1h-pyrrole-3-carboxamide
- 5-[(z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
- su11248 analog 12f
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InChIKey |
SRSGVKWWVXWSJT-ATVHPVEESA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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