Found 210 results

Search term: MF = 'C_{29}H_{25}Cl_{2}N_{3}O_{4}'
ChemSpider 2D Image | N-({5-[2-{[(3',4'-Dichloro-4-biphenylyl)amino]methyl}-4-(hydroxymethyl)phenyl]-2-pyridinyl}carbonyl)-beta-alanine | C29H25Cl2N3O4

N-({5-[2-{[(3',4'-Dichloro-4-biphenylyl)amino]methyl}-4-(hydroxymethyl)phenyl]-2-pyridinyl}carbonyl)-β-alanine

  • Molecular FormulaC29H25Cl2N3O4
  • Average mass550.432 Da
  • Monoisotopic mass549.122192 Da
  • ChemSpider ID58933707

More details:

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

N-({5-[2-{[(3',4'-Dichlor-4-biphenylyl)amino]methyl}-4-(hydroxymethyl)phenyl]-2-pyridinyl}carbonyl)-β-alanin [German] [ACD/IUPAC Name]
N-({5-[2-{[(3',4'-Dichloro-4-biphenylyl)amino]methyl}-4-(hydroxymethyl)phenyl]-2-pyridinyl}carbonyl)-β-alanine [ACD/IUPAC Name]
N-({5-[2-{[(3',4'-Dichloro-4-biphénylyl)amino]méthyl}-4-(hydroxyméthyl)phényl]-2-pyridinyl}carbonyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[5-[2-[[(3',4'-dichloro[1,1'-biphenyl]-4-yl)amino]methyl]-4-(hydroxymethyl)phenyl]-2-pyridinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 829.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 75.25
ACD/KOC (pH 5.5): 328.46
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 5.50
Polar Surface Area: 112 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 399.1±3.0 cm3

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