3-(4-Benzyl-1-Piperidinyl)-1-(7-Methoxy-2,3-Dihydro-1,4-Benzothiazepin-4(5H)-Yl)-1-Propanone

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Properties Simple | Detailed

Formula C25H32N2O2S
IUPAC Name 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2h-1,4-benzothiazepin-4-yl)propan-1-one
Molecular Mass 424.599 g·mol−1
Heat of Formation -201.3 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 530.62 Å 3
Surface Area 450.88 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(7-methoxy-3,5-dihydro-2h-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)-1-piperidinyl]propan-1-one
  • 1-(7-methoxy-3,5-dihydro-2h-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)-1-piperidyl]propan-1-one
  • 1-(7-methoxy-3,5-dihydro-2h-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one
  • 3-[4-(benzyl)-1-piperidyl]-1-(7-methoxy-3,5-dihydro-2h-1,4-benzothiazepin-4-yl)propan-1-one
  • 4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine
  • k201
  • k21
InChIKey KCWGETCFOVJEPI-UHFFFAOYSA-N
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