ChemSpider 2D Image | SRX246 | C43H48F3N5O5

SRX246

  • Molecular FormulaC43H48F3N5O5
  • Average mass771.867 Da
  • Monoisotopic mass771.360779 Da
  • ChemSpider ID23290399

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-4-(1,4'-bipiperidin-1'-yl)-4-oxo-2-{(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl}-N-{(1R)-1-[3-(trifluoromethyl)phenyl]ethyl}butanamide
(2R)-4-(1,4'-Bipiperidin-1'-yl)-4-oxo-2-{(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylvinyl]-1-azetidinyl}-N-{(1R)-1-[3-(trifluormethyl)phenyl]ethyl}butanamid [German] [ACD/IUPAC Name]
(2R)-4-(1,4'-Bipiperidin-1'-yl)-4-oxo-2-{(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylvinyl]-1-azetidinyl}-N-{(1R)-1-[3-(trifluoromethyl)phenyl]ethyl}butanamide [ACD/IUPAC Name]
(2R)-4-(1,4'-Bipipéridin-1'-yl)-4-oxo-2-{(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phényl-1,3-oxazolidin-3-yl]-4-[(E)-2-phénylvinyl]-1-azétidinyl}-N-{(1R)-1-[3-(trifluorométhyl)phényl]éthyl}butanamide [French] [ACD/IUPAC Name]
[1,4'-Bipiperidine]-1'-butanamide, γ-oxo-α-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-4-[(E)-2-phenylethenyl]-1-azetidinyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-, (αR)- [ACD/Index Name]
SRX246
2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylmethyl]-2-[3(S)-(4(S)-phenyloxazolidin-2-on-3-yl)-4(R)-(2-styryl)azetidin-2-on-1-yl]acetic acid N-[(R)-α-methyl-3-trifluoromethylbenzyl]amide
CHEMBL244243

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

Density: 1.3±0.1 g/cm3
Boiling Point: 947.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 526.7±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 206.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 71.85
ACD/KOC (pH 5.5): 108.68
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 1797.88
ACD/KOC (pH 7.4): 2719.23
Polar Surface Area: 103 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 582.7±3.0 cm3

Click to predict properties on the Chemicalize site


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