N-[2-{4-[4-(Dimethylamino)-1-Piperidinyl]-4-Oxobutoxy}-4-(5,6,7,8-Tetrahydro-4H-Thieno[3,2-B]Azepin-4-Ylcarbonyl)Phenyl]-2-Biphenylcarboxamide

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Properties Simple | Detailed

Formula C39H44N4O4S
IUPAC Name n-[2-[4-[4-(dimethylamino)-1-piperidyl]-4-oxo-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide
Molecular Mass 664.856 g·mol−1
Heat of Formation -400.4 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 811.71 Å 3
Surface Area 564.76 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[4-(4-dimethylamino-1-piperidinyl)-4-oxobutoxy]-4-[oxo-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]-2-phenylbenzamide
  • n-[2-[4-(4-dimethylamino-1-piperidyl)-4-keto-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide
  • n-[2-[4-(4-dimethylamino-1-piperidyl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide
  • n-[2-[4-(4-dimethylaminopiperidin-1-yl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-phenyl-benzamide
  • n-[2-[4-(4-dimethylaminopiperidin-1-yl)-4-oxobutoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
InChIKey LKUCMBNAHQWPJK-UHFFFAOYSA-N
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