Formula |
C30H35F2N5O5 |
IUPAC Name |
2-[[6-(3-carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridyl]oxy]-5-(isobutylcarbamoyl)benzoic acid |
Molecular Mass |
583.626 g·mol−1 |
Heat of Formation |
-961.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.23 ± 1.08 D |
Volume |
701.77 Å 3 |
Surface Area |
506.54 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
-1.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[6-(3-carbamimidoylphenoxy)-4-(di(propan-2-yl)amino)-3,5-difluoro-pyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid
- 2-[6-(3-carbamimidoylphenoxy)-4-(di(propan-2-yl)amino)-3,5-difluoropyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid
- 2-[[6-(3-amidinophenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridyl]oxy]-5-(isobutylcarbamoyl)benzoic acid
- 2-[[6-(3-carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridyl]oxy]-5-[(isobutylamino)-oxomethyl]benzoic acid
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InChIKey |
JLWMMYZWEHHTFF-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
F
O
N
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