ChemSpider 2D Image | 1-(4-Aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-butanyl]urea | C24H32N4O2S2

1-(4-Aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-butanyl]urea

  • Molecular FormulaC24H32N4O2S2
  • Average mass472.667 Da
  • Monoisotopic mass472.196655 Da
  • ChemSpider ID35035618

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-Aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-butanyl]harnstoff [German] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-butanyl]urea [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-[(2S)-4-(méthylsulfanyl)-1-{(2R)-2-[2-(méthylsulfanyl)phényl]-1-pyrrolidinyl}-1-oxo-2-butanyl]urée [French] [ACD/IUPAC Name]
1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea
Urea, N-[(4-aminophenyl)methyl]-N'-[(1S)-3-(methylthio)-1-[[(2R)-2-[2-(methylthio)phenyl]-1-pyrrolidinyl]carbonyl]propyl]- [ACD/Index Name]
7I6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 188.60
ACD/KOC (pH 5.5): 1456.18
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.79
ACD/KOC (pH 7.4): 1542.62
Polar Surface Area: 138 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

Click to predict properties on the Chemicalize site


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