Formula |
C28H32Cl2N4O6S2 |
IUPAC Name |
n-[(1s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide |
Molecular Mass |
655.613 g·mol−1 |
Heat of Formation |
-981.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.13 ± 1.08 D |
Volume |
706.01 Å 3 |
Surface Area |
505.29 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
-1.47 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(1s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide
- n-[(1s)-1-[[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]-oxomethyl]-3-methylbutyl]-2-benzothiophenecarboxamide
- n-[(2s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazin-1-yl]-4-methyl-1-oxo-pentan-2-yl]-1-benzothiophene-2-carboxamide
- n-[(2s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
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InChIKey |
IVYQPSHHYIAUFO-VXKWHMMOSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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