ChemSpider 2D Image | (2R)-2-[(3S,4S)-3-{[4-(2-Benzyl-1H-imidazol-5-yl)-1-piperidinyl]methyl}-4-phenyl-1-pyrrolidinyl]-3-cyclopropylpropanoic acid | C32H40N4O2

(2R)-2-[(3S,4S)-3-{[4-(2-Benzyl-1H-imidazol-5-yl)-1-piperidinyl]methyl}-4-phenyl-1-pyrrolidinyl]-3-cyclopropylpropanoic acid

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID2279508

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-[(3S,4S)-3-{[4-(2-Benzyl-1H-imidazol-5-yl)-1-piperidinyl]methyl}-4-phenyl-1-pyrrolidinyl]-3-cyclopropylpropanoic acid [ACD/IUPAC Name]
(2R)-2-[(3S,4S)-3-{[4-(2-Benzyl-1H-imidazol-5-yl)-1-piperidinyl]methyl}-4-phenyl-1-pyrrolidinyl]-3-cyclopropylpropansäure [German] [ACD/IUPAC Name]
1-Pyrrolidineacetic acid, α-(cyclopropylmethyl)-3-phenyl-4-[[4-[2-(phenylmethyl)-1H-imidazol-5-yl]-1-piperidinyl]methyl]-, (αR,3S,4S)- [ACD/Index Name]
Acide (2R)-2-[(3S,4S)-3-{[4-(2-benzyl-1H-imidazol-5-yl)-1-pipéridinyl]méthyl}-4-phényl-1-pyrrolidinyl]-3-cyclopropylpropanoïque [French] [ACD/IUPAC Name]
(2R)-2-((3S,4S)-3-{[4-(2-Benzyl-1H-imidazol-5-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid

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

AIDS211912 [DBID]
AIDS-211912 [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: 745.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 72 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 426.2±3.0 cm3

Click to predict properties on the Chemicalize site


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