Formula |
C27H28ClN5O2S |
IUPAC Name |
1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-n-(1-isopropyl-4-piperidyl)-7-methyl-indole-2-carboxamide |
Molecular Mass |
522.062 g·mol−1 |
Heat of Formation |
243.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.80 ± 1.08 D |
Volume |
607.53 Å 3 |
Surface Area |
508.49 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
1.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-3-cyano-7-methyl-1h-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
- 1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-3-cyano-n-(1-isopropyl-4-piperidinyl)-7-methyl-2-indolecarboxamide
- 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-n-(1-isopropyl-4-piperidyl)-7-methyl-indole-2-carboxamide
- 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-cyano-7-methyl-n-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
- 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide
- iib
|
InChIKey |
MCLVKEPZVPUETD-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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