2-Amino-6-({[2-(4-Chlorophenyl)-1,3-Thiazol-4-Yl]Methyl}Sulfanyl)-4-[4-(2-Hydroxyethoxy)Phenyl]-3,5-Pyridinedicarbonitrile

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Properties Simple | Detailed

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
Synonyms
  • 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
InChIKey CITWCLNVRIKQAF-UHFFFAOYSA-N
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