ChemSpider 2D Image | 5-[(3S,4S)-1-[(2-Chlorophenyl)sulfonyl]-4-(fluoromethyl)-3-pyrrolidinyl]-3-methyl-1H-1,2,4-triazole | C14H16ClFN4O2S

5-[(3S,4S)-1-[(2-Chlorophenyl)sulfonyl]-4-(fluoromethyl)-3-pyrrolidinyl]-3-methyl-1H-1,2,4-triazole

  • Molecular FormulaC14H16ClFN4O2S
  • Average mass358.819 Da
  • Monoisotopic mass358.066650 Da
  • ChemSpider ID71292920

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-1,2,4-Triazole, 5-[(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-(fluoromethyl)-3-pyrrolidinyl]-3-methyl- [ACD/Index Name]
5-[(3S,4S)-1-[(2-Chlorophenyl)sulfonyl]-4-(fluoromethyl)-3-pyrrolidinyl]-3-methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
5-[(3S,4S)-1-[(2-Chlorophényl)sulfonyl]-4-(fluorométhyl)-3-pyrrolidinyl]-3-méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
5-[(3S,4S)-1-[(2-Chlorphenyl)sulfonyl]-4-(fluormethyl)-3-pyrrolidinyl]-3-methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
2-CHLOROPHENYL [(3S,4S)-3-(FLUOROMETHYL)-4-(3-METHYL-1H-1,2,4-TRIAZOL-5-YL)TETRAHYDRO-1H-PYRROL-1-YL] SULFONE
3-[(3S,4S)-1-(2-chlorophenyl)sulfonyl-4-(fluoromethyl)pyrrolidin-3-yl]-5-methyl-1H-1,2,4-triazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.34
ACD/KOC (pH 5.5): 309.53
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.76
ACD/KOC (pH 7.4): 315.52
Polar Surface Area: 87 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 250.7±3.0 cm3

Click to predict properties on the Chemicalize site


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