3-[4-(2-Chlorophenyl)-9-Cyclohexyl-6H-Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepin-2-Yl]-1-(4-Morpholinyl)-1-Propanone

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Properties Simple | Detailed

Formula C27H30ClN5O2S
IUPAC Name 3-[4-(2-chlorophenyl)-9-cyclohexyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone
Molecular Mass 524.077 g·mol−1
Heat of Formation 13.5 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 605.25 Å 3
Surface Area 476.52 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-(2-chlorophenyl)-9-cyclohexyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone
  • web 2118
  • web-2118
CAS Number(s)
  • 124672-93-1
InChIKey ZBDUNINGNFVFMB-UHFFFAOYSA-N
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