Found 41 results

Search term: MF = 'C_{29}H_{39}ClN_{4}O_{6}'
ChemSpider 2D Image | 2-[4-({3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]benzyl}carbamoyl)-1-piperidinyl]ethyl 4-amino-5-chloro-2-methoxybenzoate | C29H39ClN4O6

2-[4-({3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]benzyl}carbamoyl)-1-piperidinyl]ethyl 4-amino-5-chloro-2-methoxybenzoate

  • Molecular FormulaC29H39ClN4O6
  • Average mass575.096 Da
  • Monoisotopic mass574.255798 Da
  • ChemSpider ID9752573

More details:

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

2-[4-({3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]benzyl}carbamoyl)-1-piperidinyl]ethyl 4-amino-5-chloro-2-methoxybenzoate [ACD/IUPAC Name]
2-[4-({3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]benzyl}carbamoyl)-1-piperidinyl]ethyl-4-amino-5-chlor-2-methoxybenzoat [German] [ACD/IUPAC Name]
4-Amino-5-chloro-2-méthoxybenzoate de 2-[4-({3-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]benzyl}carbamoyl)-1-pipéridinyl]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-amino-5-chloro-2-methoxy-, 2-[4-[[[[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]methyl]amino]carbonyl]-1-piperidinyl]ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.1±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 20.47
ACD/KOC (pH 5.5): 89.44
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 758.93
ACD/KOC (pH 7.4): 3316.56
Polar Surface Area: 132 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 467.6±3.0 cm3

Click to predict properties on the Chemicalize site


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