3-(1-{3-[(3R)-1-Benzoyl-3-(3,4-Dichlorophenyl)-3-Piperidinyl]Propyl}-4-Phenyl-4-Piperidinyl)-1,1-Dimethylurea

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Properties Simple | Detailed

Formula C35H42Cl2N4O2
IUPAC Name [8,9-dichloro-5-(2-spiro[3,4-dihydro-2h-1,2,4-benzoxadiazepin-2-ium-5,4'-pyridine]-1'-ylethynyl)-4h-indeno[2,1-b]azepin-10-ylidene]methanone
Molecular Mass 621.640 g·mol−1
Heat of Formation -246.9 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 732.48 Å 3
Surface Area 523.22 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[1-[3-[(3r)-1-(benzoyl)-3-(3,4-dichlorophenyl)-3-piperidyl]propyl]-4-phenyl-4-piperidyl]-1,1-dimethyl-urea
  • 3-[1-[3-[(3r)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea
  • 3-[1-[3-[(3r)-3-(3,4-dichlorophenyl)-1-(oxo-phenylmethyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-1,1-dimethylurea
  • 3-[1-[3-[(3r)-3-(3,4-dichlorophenyl)-1-phenylcarbonyl-piperidin-3-yl]propyl]-4-phenyl-piperidin-4-yl]-1,1-dimethyl-urea
InChIKey XWPBINGFFFZAOZ-UMSFTDKQSA-N
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Elements H C N O Cl