ChemSpider 2D Image | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE | C33H43N3O4S

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE

  • Molecular FormulaC33H43N3O4S
  • Average mass577.777 Da
  • Monoisotopic mass577.297424 Da
  • ChemSpider ID3572037
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acetamide, 2-(2,6-dimethylphenoxy)-N-[[(3R,4R)-4-[[(2-methylpropyl)(phenylsulfonyl)amino]methyl]-3-pyrrolidinyl]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE
N-Benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[isobutyl(phenylsulfonyl)amino]methyl}-3-pyrrolidinyl]methyl}acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[isobutyl(phenylsulfonyl)amino]methyl}-3-pyrrolidinyl]methyl}acetamide [ACD/IUPAC Name]
N-Benzyl-2-(2,6-diméthylphénoxy)-N-{[(3R,4R)-4-{[isobutyl(phénylsulfonyl)amino]méthyl}-3-pyrrolidinyl]méthyl}acétamide [French] [ACD/IUPAC Name]
189

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±35.7 °C
Index of Refraction: 1.573
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 21.63
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 80.24
ACD/KOC (pH 7.4): 207.67
Polar Surface Area: 87 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 502.2±3.0 cm3

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