1-{5-(2-Methyl-2-Propanyl)-3-[(5-Oxo-1,4-Diazepan-1-Yl)Carbonyl]-2-Thienyl}-3-(1-Naphthyl)Urea

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Properties Simple | Detailed

Formula C25H28N4O3S
IUPAC Name 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
Molecular Mass 464.580 g·mol−1
Heat of Formation -346.7 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 544.37 Å 3
Surface Area 461.09 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-tert-butyl-3-(5-keto1,4-diazepane-1-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-3-(5-oxo1,4-diazepane-1-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-3-(5-oxo1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-naphthalen-1-ylurea
  • 1-[5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]-3-naphthalen-1-yl-urea
  • 1-[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thienyl]-3-(1-naphthyl)urea
InChIKey SNHWMEWYAPKRQL-UHFFFAOYSA-N
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