4-(1-{2-[(3S)-1-(Cyclopropylmethyl)-3-(3,4-Dichlorophenyl)-6-Oxo-3-Piperidinyl]Ethyl}-3-Azetidinyl)-1-Piperazinesulfonamide

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Properties Simple | Detailed

Formula C24H35Cl2N5O3S
IUPAC Name 4-[1-[2-[(3s)-3-[(e)-3-chloro-1-methyl-allyl]-1-(cyclopropylmethyl)-6-oxo-3-piperidyl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide chloride
Molecular Mass 544.537 g·mol−1
Heat of Formation -352.0 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 625.01 Å 3
Surface Area 477.88 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[1-[2-[(3s)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-keto-3-piperidyl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
  • 4-[1-[2-[(3s)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl]-3-azetidinyl]-1-piperazinesulfonamide
  • 4-[1-[2-[(3s)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidyl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
  • 4-[1-[2-[(3s)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-piperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
  • 4-[1-[2-[(3s)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide
InChIKey OQXJUJDDCWHRLA-XMMPIXPASA-N
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