N-Benzyl-N-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}Thieno[3,4-D][1,2]Thiazol-3-Amine 1,1-Dioxide

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Properties Simple | Detailed

Formula C27H31N3O3S2
IUPAC Name n-benzyl-1,1-dioxo-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]thieno[3,4-d]isothiazol-3-amine
Molecular Mass 509.683 g·mol−1
Heat of Formation -93.6 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 600.43 Å 3
Surface Area 445.27 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dioxo-n-(phenylmethyl)-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-3-thieno[3,4-d]isothiazolamine
  • 1,1-dioxo-n-(phenylmethyl)-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]thieno[3,4-d]isothiazol-3-amine
  • 1,1-dioxo-n-(phenylmethyl)-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]thieno[3,4-d][1,2]thiazol-3-amine
  • benzyl-(1,1-diketothieno[3,4-d]isothiazol-3-yl)-[3-[3-(piperidinomethyl)phenoxy]propyl]amine
  • n-(phenylmethyl)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)thieno(3,4-d)isothiazol-3-amine 1,1-dioxide
  • thieno(3,4-d)isothiazol-3-amine, n-(phenylmethyl)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, 1,1-dioxide
  • wy 46499
  • wy-46,499
CAS Number(s)
  • 104221-86-5
InChIKey YWOVCUCLMADHSH-UHFFFAOYSA-N
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