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

N'-[(2S)-1-[(2S)-4-Benzyl-3-oxo-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 ID24713970

  • 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)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2S)-3-oxo-4-(phenylmethyl)-2-piperazinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1S,2S)-1-[(2S)-4-Benzyl-3-oxo-2-pipérazinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(2S)-4-Benzyl-3-oxo-2-piperazinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(1s,2s)-2-[(2s)-4-Benzyl-3-Oxopiperazin-2-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylbenzene-1,3-Dicarboxamide
N'-[(2S)-1-[(2S)-4-Benzyl-3-oxo-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509210/

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

316 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.1±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 263.81
ACD/KOC (pH 5.5): 1247.21
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1078.96
ACD/KOC (pH 7.4): 5100.96
Polar Surface Area: 102 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 509.8±3.0 cm3

Click to predict properties on the Chemicalize site


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