ChemSpider 2D Image | Benzyl (2S)-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate | C18H18ClN3O3

Benzyl (2S)-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC18H18ClN3O3
  • Average mass359.807 Da
  • Monoisotopic mass359.103668 Da
  • ChemSpider ID21196950

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(5-Chloro-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-[(5-chlor-2-pyridinyl)carbamoyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 37.24
ACD/KOC (pH 5.5): 421.11
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 41.26
Polar Surface Area: 75 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 267.4±7.0 cm3

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