ChemSpider 2D Image | N'-{(1S,2S)-3-(3,5-Difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)-2-piperazinyl]-2-propanyl}-5-methyl-N,N-dipropylisophthalamide | C34H42F2N4O5S

N'-{(1S,2S)-3-(3,5-Difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)-2-piperazinyl]-2-propanyl}-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC34H42F2N4O5S
  • Average mass656.783 Da
  • Monoisotopic mass656.284424 Da
  • ChemSpider ID24671581

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)-2-piperazinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
N'-{(1S,2S)-3-(3,5-Difluorophényl)-1-hydroxy-1-[(2R)-4-(phénylsulfonyl)-2-pipérazinyl]-2-propanyl}-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-{(1S,2S)-3-(3,5-Difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)-2-piperazinyl]-2-propanyl}-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-{(1S,2S)-3-(3,5-Difluorphenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)-2-piperazinyl]-2-propanyl}-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
Z74

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 67.33
ACD/KOC (pH 5.5): 284.10
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1282.69
ACD/KOC (pH 7.4): 5412.42
Polar Surface Area: 127 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 522.3±3.0 cm3

Click to predict properties on the Chemicalize site


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