ChemSpider 2D Image | (3S,4S)-1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinecarboxamide | C14H20N6O5S

(3S,4S)-1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinecarboxamide

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID44232479

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,4S)-1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-1-[(1-Éthyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(méthoxyméthyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-, (3S,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 665.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 91.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.90
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.90
Polar Surface Area: 155 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 233.7±7.0 cm3

Click to predict properties on the Chemicalize site


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