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Search term: AXPVBKYLWIKBKW-RPBOFIJWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2-{2-[(6R,9S)-2,2-Dioxido-2-thia-1,7-diazabicyclo[4.3.1]dec-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | C30H32F3N3O3S

N-(2-{2-[(6R,9S)-2,2-Dioxido-2-thia-1,7-diazabicyclo[4.3.1]dec-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide

  • Molecular FormulaC30H32F3N3O3S
  • Average mass571.654 Da
  • Monoisotopic mass571.211670 Da
  • ChemSpider ID90633243

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenepropanamide, N-[2-[2-[(6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]dec-9-yl]ethyl]-3-fluorophenyl]-4-fluoro-β-(4-fluorophenyl)- [ACD/Index Name]
N-(2-{2-[(6R,9S)-2,2-Dioxido-2-thia-1,7-diazabicyclo[4.3.1]dec-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide [ACD/IUPAC Name]
N-(2-{2-[(6R,9S)-2,2-Dioxido-2-thia-1,7-diazabicyclo[4.3.1]dec-9-yl]ethyl}-3-fluorphenyl)-3,3-bis(4-fluorphenyl)propanamid [German] [ACD/IUPAC Name]
N-(2-{2-[(6R,9S)-2,2-Dioxydo-2-thia-1,7-diazabicyclo[4.3.1]déc-9-yl]éthyl}-3-fluorophényl)-3,3-bis(4-fluorophényl)propanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 22.26
ACD/KOC (pH 5.5): 65.23
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1135.49
ACD/KOC (pH 7.4): 3326.95
Polar Surface Area: 87 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

Click to predict properties on the Chemicalize site


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