ChemSpider 2D Image | 2-Methyl-2-propanyl (2-cyanoethyl){[1-methyl-4-({[1-methyl-4-({[1-methyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}carbamoyl)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl] carbonyl}carbamate | C32H40N8O8

2-Methyl-2-propanyl (2-cyanoethyl){[1-methyl-4-({[1-methyl-4-({[1-methyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}carbamoyl)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl] carbonyl}carbamate

  • Molecular FormulaC32H40N8O8
  • Average mass664.709 Da
  • Monoisotopic mass664.296936 Da
  • ChemSpider ID57435567

More details:

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

(2-Cyanoéthyl){[1-méthyl-4-({[1-méthyl-4-({[1-méthyl-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}carbamoyl)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}carbamate d e 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2-cyanoethyl){[1-methyl-4-({[1-methyl-4-({[1-methyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}carbamoyl)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl] carbonyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2-cyanethyl){[1-methyl-4-({[1-methyl-4-({[1-methyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}carbamoyl)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]c arbonyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-cyanoethyl)-N-[[4-[[[4-[[[4-[[[(1,1-dimethylethoxy)carbonyl]amino]carbonyl]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrol-2-yl] carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
CARBAMIC ACID,[5-[[[5-[[[5-[[(2-CYANOETHYL)[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]CARBONYL]-1-METHYL-1H-PYRROL-3-YL]AMINO]CARBONYL]-1-METHYL-1H-PYRROL-3-YL]AMINO]CARBONYL]-1-METHYL-1H-PYRROL-3-YL]FORMYL-, 1,1-DIMETHYLETHYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 176.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.33
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 124.43
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.37
Polar Surface Area: 199 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 514.5±7.0 cm3

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