Formula |
C30H31Cl2N5O3S |
IUPAC Name |
n-[(1s)-2-amino-1-benzyl-2-oxo-ethyl]-4-[2-(3,4-dichlorophenyl)-4-(2-methylsulfanylethyl)-5-(3-pyridyl)pyrazol-3-yl]oxy-butanamide |
Molecular Mass |
612.570 g·mol−1 |
Heat of Formation |
-145.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.40 ± 1.08 D |
Volume |
724.38 Å 3 |
Surface Area |
563.13 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-1.05 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(1s)-2-amino-1-(benzyl)-2-keto-ethyl]-4-[2-(3,4-dichlorophenyl)-4-[2-(methylthio)ethyl]-5-(3-pyridyl)pyrazol-3-yl]oxy-butyramide
- n-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-4-[2-(3,4-dichlorophenyl)-4-(2-methylsulfanylethyl)-5-(3-pyridyl)pyrazol-3-yl]oxy-butanamide
- n-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-4-[[2-(3,4-dichlorophenyl)-4-[2-(methylthio)ethyl]-5-(3-pyridyl)-3-pyrazolyl]oxy]butanamide
- n-[(2s)-1-amino-1-oxo-3-phenyl-propan-2-yl]-4-[2-(3,4-dichlorophenyl)-4-(2-methylsulfanylethyl)-5-pyridin-3-yl-pyrazol-3-yl]oxy-butanamide
- n-[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[2-(3,4-dichlorophenyl)-4-(2-methylsulfanylethyl)-5-pyridin-3-ylpyrazol-3-yl]oxybutanamide
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InChIKey |
BOIWFQJWKKPATQ-SANMLTNESA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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