ChemSpider 2D Image | N~2~-[(2R)-2-(3,5-Dichlorophenyl)-2-(dimethylamino)acetyl]-N-{[2-(iminomethyl)-4-pyrimidinyl]methyl}-L-isoleucinamide | C22H28Cl2N6O2

N2-[(2R)-2-(3,5-Dichlorophenyl)-2-(dimethylamino)acetyl]-N-{[2-(iminomethyl)-4-pyrimidinyl]methyl}-L-isoleucinamide

  • Molecular FormulaC22H28Cl2N6O2
  • Average mass479.403 Da
  • Monoisotopic mass478.165070 Da
  • ChemSpider ID35035149

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzeneacetamide, 3,5-dichloro-α-(dimethylamino)-N-[(1S,2S)-1-[[[[2-(iminomethyl)-4-pyrimidinyl]methyl]amino]carbonyl]-2-methylbutyl]-, (αR)- [ACD/Index Name]
N2-[(2R)-2-(3,5-Dichlorophenyl)-2-(dimethylamino)acetyl]-N-{[2-(iminomethyl)-4-pyrimidinyl]methyl}-L-isoleucinamide [ACD/IUPAC Name]
N2-[(2R)-2-(3,5-Dichlorophényl)-2-(diméthylamino)acétyl]-N-{[2-(iminométhyl)-4-pyrimidinyl]méthyl}-L-isoleucinamide [French] [ACD/IUPAC Name]
N2-[(2R)-2-(3,5-Dichlorphenyl)-2-(dimethylamino)acetyl]-N-{[2-(iminomethyl)-4-pyrimidinyl]methyl}-L-isoleucinamid [German] [ACD/IUPAC Name]

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: 1.612
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 10.04
ACD/KOC (pH 5.5): 114.83
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.65
ACD/KOC (pH 7.4): 556.32
Polar Surface Area: 111 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 365.5±7.0 cm3

Click to predict properties on the Chemicalize site


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