Formula |
C25H18ClN5O2S2 |
IUPAC Name |
2-amino-6-[[2-(4-chlorophenyl)thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile |
Molecular Mass |
520.026 g·mol−1 |
Heat of Formation |
285.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.90 ± 1.08 D |
Volume |
580.83 Å 3 |
Surface Area |
426.21 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
1.76 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-6-[[2-(4-chlorophenyl)-4-thiazolyl]methylthio]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
- 2-amino-6-[[2-(4-chlorophenyl)thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
- 2-amino-6-[[2-(4-chlorophenyl)thiazol-4-yl]methylthio]-4-[4-(2-hydroxyethoxy)phenyl]dinicotinonitrile
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InChIKey |
CITWCLNVRIKQAF-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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