ChemSpider 2D Image | N'-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide | C34H40F2N4O4

N'-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide

  • Molecular FormulaC34H40F2N4O4
  • Average mass606.703 Da
  • Monoisotopic mass606.301758 Da
  • ChemSpider ID9694821

  • 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-[(4S)-5-oxo-1-(phenylmethyl)-4-imidazolidinyl]ethyl]-5-methyl-N1,N1-dipropyl- [ACD/Index Name]
N'-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-méthyl-N,N-dipropylisophtalamide [French] [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamide [ACD/IUPAC Name]
N'-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-methyl-N,N-dipropylisophthalamid [German] [ACD/IUPAC Name]
N'-[(1s,2s)-2-[(4s)-1-Benzyl-5-Oxoimidazolidin-4-Yl]-1-(3,5-Difluorobenzyl)-2-Hydroxyethyl]-5-Methyl-N,N-Dipropylbenzene-1,3-Dicarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507651/

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

318 [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: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.4±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.18
ACD/KOC (pH 5.5): 2787.70
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.42
ACD/KOC (pH 7.4): 2843.64
Polar Surface Area: 102 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 492.1±3.0 cm3

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