ChemSpider 2D Image | N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide | C35H42F2N4O4

N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC35H42F2N4O4
  • Average mass620.729 Da
  • Monoisotopic mass620.317383 Da
  • ChemSpider ID24673357

  • 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)-2-[(2R)-4-benzoyl-2-piperazinyl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxyethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-pipérazinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(2R)-4-Benzoyl-2-piperazinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
74A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 786.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.4±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 10.95
ACD/KOC (pH 5.5): 66.48
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 302.33
ACD/KOC (pH 7.4): 1835.64
Polar Surface Area: 102 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 512.0±3.0 cm3

Click to predict properties on the Chemicalize site


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