ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-2-propanyl}carbamate | C32H41N5O5

2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-2-propanyl}carbamate

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID17466426
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(2S)-3-(1H-Indol-3-yl)-1-[4-({(2S)-1-[(4-méthylphényl)amino]-1-oxo-2-propanyl}carbamoyl)-1-pipéridinyl]-1-oxo-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-3-(1H-indol-3-yl)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-3-(1H-indol-3-yl)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[4-[[[(1S)-1-methyl-2-[(4-methylphenyl)amino]-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
956942-67-9 [RN]
C32H41N5O5
MCULE-6249435025
MolPort-000-771-733
STOCK1N-49774
TERT-BUTYL N-[(2S)-3-(1H-INDOL-3-YL)-1-(4-{[(1S)-1-[(4-METHYLPHENYL)CARBAMOYL]ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-1-OXOPROPAN-2-YL]CARBAMATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 883.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 488.0±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 430.38
ACD/KOC (pH 5.5): 2670.77
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 430.37
ACD/KOC (pH 7.4): 2670.71
Polar Surface Area: 133 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 464.4±3.0 cm3

Click to predict properties on the Chemicalize site






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