Found 1159 results

Search term: MF = 'C_{29}H_{36}ClN_{3}O_{3}'
ChemSpider 2D Image | (2S)-N-tert-butyl-2-(4-chlorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxopiperazin-1-yl]ethanamide | C29H36ClN3O3

(2S)-N-tert-butyl-2-(4-chlorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxopiperazin-1-yl]ethanamide

  • Molecular FormulaC29H36ClN3O3
  • Average mass510.067 Da
  • Monoisotopic mass509.244507 Da
  • ChemSpider ID9880889

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxo-1-piperazinyl]-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
(2S)-2-(4-Chlorophényl)-2-[(3R,6R)-3-(2,3-dihydro-1H-indén-2-yl)-6-isobutyl-2,5-dioxo-1-pipérazinyl]-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxo-1-piperazinyl]-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
(2S)-N-tert-butyl-2-(4-chlorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxopiperazin-1-yl]ethanamide
1-Piperazineacetamide, α-(4-chlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)-N-(1,1-dimethylethyl)-6-(2-methylpropyl)-2,5-dioxo-, (αS,3R,6R)- [ACD/Index Name]
(S)-N-tert-Butyl-2-(4-chloro-phenyl)-2-((R)-3-(R)-indan-2-yl-6-isobutyl-2,5-dioxo-piperazin-1-yl)-acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.4±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3440.76
ACD/KOC (pH 5.5): 11833.99
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3440.75
ACD/KOC (pH 7.4): 11833.97
Polar Surface Area: 79 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 429.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement