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Formula C25H26N7O8P
IUPAC Name [3-[2-[4-(benzoyl)piperazin-1-yl]-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
Molecular Mass 583.490 g·mol−1
Heat of Formation -1089.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 637.04 Å 3
Surface Area 499.56 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[1,2-dioxo-2-[4-(oxo-phenylmethyl)-1-piperazinyl]ethyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1-pyrrolo[2,3-c]pyridinyl]methyl dihydrogen phosphate
  • [3-[2-[4-(benzoyl)piperazin-1-yl]-2-keto-acetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
  • [3-[2-[4-(benzoyl)piperazin-1-yl]-2-oxo-acetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
  • [4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-3-[2-oxo-2-(4-phenylcarbonylpiperazin-1-yl)ethanoyl]pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
InChIKey SWMDAPWAQQTBOG-UHFFFAOYSA-N
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