ChemSpider 2D Image | Tert-Butyl {(3s,5r)-5-[cyclopropyl(2,3-Dichlorobenzyl)carbamoyl]piperidin-3-Yl}carbamate | C21H29Cl2N3O3

Tert-Butyl {(3s,5r)-5-[cyclopropyl(2,3-Dichlorobenzyl)carbamoyl]piperidin-3-Yl}carbamate

  • Molecular FormulaC21H29Cl2N3O3
  • Average mass442.379 Da
  • Monoisotopic mass441.158600 Da
  • ChemSpider ID35034991

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3S,5R)-5-[Cyclopropyl(2,3-dichlorobenzyl)carbamoyl]-3-pipéridinyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]-3-piperidinyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(3S,5R)-5-[cyclopropyl(2,3-dichlorbenzyl)carbamoyl]-3-piperidinyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,5R)-5-[[cyclopropyl[(2,3-dichlorophenyl)methyl]amino]carbonyl]-3-piperidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Tert-Butyl {(3s,5r)-5-[cyclopropyl(2,3-Dichlorobenzyl)carbamoyl]piperidin-3-Yl}carbamate
2XF

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 27.86
ACD/KOC (pH 7.4): 165.42
Polar Surface Area: 71 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

Click to predict properties on the Chemicalize site


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