ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-4-{[4-(1-naphthoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl]methyl}-1H-imidazole-1-carboxylate | C35H41N5O5

2-Methyl-2-propanyl 2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-4-{[4-(1-naphthoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl]methyl}-1H-imidazole-1-carboxylate

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID8874334

More details:






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

1H-Imidazole-1-carboxylic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-[[2,3,4,5-tetrahydro-4-(1-naphthalenylcarbonyl)-1H-1,4-benzodiazepin-1-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-4-{[4-(1-naphtoyl)-2,3,4,5-tétrahydro-1H-1,4-benzodiazépin-1-yl]méthyl}-1H-imidazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-4-{[4-(1-naphthoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl]methyl}-1H-imidazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-4-{[4-(1-naphthoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl]methyl}-1H-imidazol-1-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 174.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2973.51
ACD/KOC (pH 5.5): 10613.61
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3018.74
ACD/KOC (pH 7.4): 10775.02
Polar Surface Area: 106 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 504.4±7.0 cm3

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