Found 246 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{7}'
ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({3-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)-1,4-diazepane-1-carboxylate | C21H32N4O7

2-Methyl-2-propanyl 4-({3-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)-1,4-diazepane-1-carboxylate

  • Molecular FormulaC21H32N4O7
  • Average mass452.501 Da
  • Monoisotopic mass452.227112 Da
  • ChemSpider ID65979917

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[[[3-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-pyridinyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({3-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({3-[2-(2-methoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
4-({3-[2-(2-Méthoxyéthoxy)-2-oxoéthoxy]-2-pyridinyl}carbamoyl)-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC 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: 639.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 121.05
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 132.92
Polar Surface Area: 120 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site


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