ChemSpider 2D Image | 4-[(4-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)sulfonyl]morpholine | C18H18N6O5S2

4-[(4-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)sulfonyl]morpholine

  • Molecular FormulaC18H18N6O5S2
  • Average mass462.503 Da
  • Monoisotopic mass462.078003 Da
  • ChemSpider ID22084551

More details:

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

4-[(4-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)sulfonyl]morpholin [German] [ACD/IUPAC Name]
4-[(4-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)sulfonyl]morpholine [ACD/IUPAC Name]
4-[(4-{[4-Méthyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophényl)sulfonyl]morpholine [French] [ACD/IUPAC Name]
Morpholine, 4-[[4-[[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonyl]- [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: 726.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 393.0±35.7 °C
Index of Refraction: 1.740
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.27
ACD/KOC (pH 5.5): 516.17
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.28
ACD/KOC (pH 7.4): 516.28
Polar Surface Area: 170 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 289.6±7.0 cm3

Click to predict properties on the Chemicalize site


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