ChemSpider 2D Image | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL) | C37H44N4O3

N-(R-CARBOXY-ETHYL)-α-(S)-(2-PHENYLETHYL)

  • Molecular FormulaC37H44N4O3
  • Average mass592.770 Da
  • Monoisotopic mass592.341370 Da
  • ChemSpider ID571336

More details:

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

[1,1'-Biphenyl]-4-acetic acid, 4'-[[[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl](4-pentylbenzoyl)amino]methyl]-, methyl ester [ACD/Index Name]
[4'-({[1-(1H-Imidazol-2-ylméthyl)-4-pipéridinyl](4-pentylbenzoyl)amino}méthyl)-4-biphénylyl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [4'-({[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)-4-biphenylyl]acetate [ACD/IUPAC Name]
Methyl-[4'-({[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)-4-biphenylyl]acetat [German] [ACD/IUPAC Name]
N-(R-CARBOXY-ETHYL)-α-(S)-(2-PHENYLETHYL)
IH4
methyl 2-{4-[4-({N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1-(4-pentylphenyl)formamido}methyl)phenyl]phenyl}acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 788.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 174.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 392.03
ACD/KOC (pH 5.5): 578.05
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 15286.90
ACD/KOC (pH 7.4): 22540.62
Polar Surface Area: 79 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 492.8±5.0 cm3

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