Methyl [8-(2-Naphthylmethyl)-4-Oxo-1-Phenyl-1,3,8-Triazaspiro[4.5]Dec-3-Yl]Acetate

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Properties Simple | Detailed

Formula C27H29N3O3
IUPAC Name methyl 2-[8-(2-naphthylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
Molecular Mass 443.537 g·mol−1
Heat of Formation -193.9 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 535.19 Å 3
Surface Area 446.36 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-keto-8-(2-naphthylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid methyl ester
  • 2-[8-(2-naphthylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid methyl ester
  • methyl 2-[8-(2-naphthylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
  • methyl 2-[8-(naphthalen-2-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
  • methyl 2-[8-(naphthalen-2-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]ethanoate
  • tocris-1780
InChIKey DSEIKQVUTKGLGT-UHFFFAOYSA-N
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