ChemSpider 2D Image | (3,5-Dinitrophenyl){(2S)-2-[2-(phenylsulfanyl)-2-propanyl]-1-pyrrolidinyl}methanone | C20H21N3O5S

(3,5-Dinitrophenyl){(2S)-2-[2-(phenylsulfanyl)-2-propanyl]-1-pyrrolidinyl}methanone

  • Molecular FormulaC20H21N3O5S
  • Average mass415.463 Da
  • Monoisotopic mass415.120178 Da
  • ChemSpider ID21188924

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3,5-Dinitrophenyl){(2S)-2-[2-(phenylsulfanyl)-2-propanyl]-1-pyrrolidinyl}methanon [German] [ACD/IUPAC Name]
(3,5-Dinitrophenyl){(2S)-2-[2-(phenylsulfanyl)-2-propanyl]-1-pyrrolidinyl}methanone [ACD/IUPAC Name]
(3,5-Dinitrophényl){(2S)-2-[2-(phénylsulfanyl)-2-propanyl]-1-pyrrolidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (3,5-dinitrophenyl)[(2S)-2-[1-methyl-1-(phenylthio)ethyl]-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.3±27.3 °C
Index of Refraction: 1.650
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1004.91
ACD/KOC (pH 5.5): 4903.67
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1004.91
ACD/KOC (pH 7.4): 4903.67
Polar Surface Area: 137 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 302.9±5.0 cm3

Click to predict properties on the Chemicalize site


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