1-{1-[2-(1,1-Dioxido-4-Thiomorpholinyl)-2-Oxoethyl]-3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl}-3-(2-Naphthyl)Urea

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Properties Simple | Detailed

Formula C24H29N5O4S
IUPAC Name 1-[5-tert-butyl-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-ethyl]pyrazol-2-ium-5-ylium-3-yl]-3-(2-naphthyl)urea
Molecular Mass 483.583 g·mol−1
Heat of Formation -394.5 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 556.59 Å 3
Surface Area 481.16 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-tert-butyl-2-[2-(1,1-diketo-1,4-thiazinan-4-yl)-2-keto-ethyl]pyrazol-3-yl]-3-(2-naphthyl)urea
  • 1-[5-tert-butyl-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-ethyl]pyrazol-3-yl]-3-(2-naphthyl)urea
  • 1-[5-tert-butyl-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxo-ethyl]pyrazol-3-yl]-3-naphthalen-2-yl-urea
  • 1-[5-tert-butyl-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-3-pyrazolyl]-3-(2-naphthyl)urea
  • 1-[5-tert-butyl-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]pyrazol-3-yl]-3-naphthalen-2-ylurea
InChIKey ZTXJXRZDKINTFZ-UHFFFAOYSA-N
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