(1R,5S)-7-{4-[3-(2-Chloro-3,6-Difluorophenoxy)Propyl]Phenyl}-N-Cyclopropyl-N-(2,3-Dichlorobenzyl)-3,9-Diazabicyclo[3.3.1]Non-6-Ene-6-Carboxamide

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Properties Simple | Detailed

Formula C33H32Cl3F2N3O2
IUPAC Name (1r,5s)-7-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-n-cyclopropyl-n-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
Molecular Mass 646.982 g·mol−1
Heat of Formation -434.2 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 704.77 Å 3
Surface Area 508.05 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-7-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-7-ene-8-carboxamide
  • (1s,5r)-7-[4-[3-(2-chloro-3,6-difluoro-phenoxy)propyl]phenyl]-n-cyclopropyl-n-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-7-ene-8-carboxamide
  • (1s,5r)-7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-n-cyclopropyl-n-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-7-ene-8-carboxamide
InChIKey SXZFQYPWEANJGQ-SKCUWOTOSA-N
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Elements C F H Cl O N