ChemSpider 2D Image | 1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone | C20H29N5O2S

1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

  • Molecular FormulaC20H29N5O2S
  • Average mass403.542 Da
  • Monoisotopic mass403.204193 Da
  • ChemSpider ID21636019

More details:

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

1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-(1-Cyclopropyl-2,5-diméthyl-1H-pyrrol-3-yl)-2-{[4-éthyl-5-(4-morpholinylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}ethanone
1-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.01
ACD/KOC (pH 5.5): 382.65
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.17
ACD/KOC (pH 7.4): 435.69
Polar Surface Area: 90 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 297.8±7.0 cm3

Click to predict properties on the Chemicalize site


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