Formula |
C35H33N5O4S |
IUPAC Name |
2-[(2r)-3-(4-benzhydrylpiperazin-1-yl)-2-(1h-indole-2-carbonylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid |
Molecular Mass |
619.733 g·mol−1 |
Heat of Formation |
-131.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.77 ± 1.08 D |
Volume |
726.71 Å 3 |
Surface Area |
604.71 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-1.14 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1h-indol-2-ylcarbonylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid
- 2-[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1h-indole-2-carbonylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylic acid
- 2-[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1h-indole-2-carbonylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
- 2-[[(2r)-3-[4-[di(phenyl)methyl]-1-piperazinyl]-2-[(1h-indol-2-yl-oxomethyl)amino]-3-oxopropyl]thio]-3-pyridinecarboxylic acid
- 2-[[(2r)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1h-indole-2-carbonylamino)-3-keto-propyl]thio]nicotinic acid
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InChIKey |
JWXZKQOPZVEJHR-PMERELPUSA-N |
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Elements |
H
C
S
O
N
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