3-Cyano-N-[(2S)-2-(3,4-Dichlorophenyl)-4-(4-{2-[(S)-Methylsulfinyl]Phenyl}-1-Piperidinyl)Butyl]-2-Methoxy-N-Methyl-1-Naphthamide

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Properties Simple | Detailed

Formula C36H37Cl2N3O3S
IUPAC Name 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-2-methoxy-n-methyl-5,6,7,8-tetrahydro-4h-naphthalene-4,5,6,7,8-pentaide-1-carboxamide
Molecular Mass 662.668 g·mol−1
Heat of Formation -122.6 ± 16.7 kJ·mol−1
Dipole Moment 10.06 ± 1.08 D
Volume 781.61 Å 3
Surface Area 566.98 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidinyl]butyl]-2-methoxy-n-methyl-1-naphthalenecarboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-2-methoxy-n-methyl-1-naphthamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]-1-piperidyl]butyl]-2-methoxy-n-methyl-naphthalene-1-carboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-2-methoxy-n-methyl-naphthalene-1-carboxamide
  • 3-cyano-n-[(2s)-2-(3,4-dichlorophenyl)-4-[4-[2-[(s)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-2-methoxy-n-methylnaphthalene-1-carboxamide
InChIKey OMMDNOFGZYPJCA-GCDXOJGYSA-N
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