ChemSpider 2D Image | (2S)-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-phenylethyl]butanamide | C42H49N5O5

(2S)-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-phenylethyl]butanamide

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID23290429

  • 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

(2S)-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-phenylethyl]butanamide
(2S)-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-phenylethyl]butanamid [German] [ACD/IUPAC Name]
(2S)-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-phenylethyl]butanamide [ACD/IUPAC Name]
(2S)-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-phényléthyl]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-phenylethyl]-, (αS)- [ACD/Index Name]
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-[(S)-α-methylbenzyl]amide
CHEMBL395755
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395755/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 958.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 533.7±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 201.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 12.55
ACD/KOC (pH 5.5): 31.17
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 314.04
ACD/KOC (pH 7.4): 779.82
Polar Surface Area: 103 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 549.2±3.0 cm3

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