Formula |
C20H19ClN4O3S2 |
IUPAC Name |
3-[[(4s)-4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine |
Molecular Mass |
462.973 g·mol−1 |
Heat of Formation |
-177.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.16 ± 1.08 D |
Volume |
502.21 Å 3 |
Surface Area |
417.46 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
1.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
- 3-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazin-1-yl]methyl]benzamidine
- 3-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine
- 3-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]benzenecarboximidamide
- 3-[[4-[(6-chloro-2-benzothiophenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzamidine
- rrp
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InChIKey |
PRMSFVUWLBPPLY-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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