ChemSpider 2D Image | N-Ethyl-11-(phenylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylmethyl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxamide | C30H35N7O3S

N-Ethyl-11-(phenylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylmethyl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxamide

  • Molecular FormulaC30H35N7O3S
  • Average mass573.709 Da
  • Monoisotopic mass573.252197 Da
  • ChemSpider ID65156052

More details:

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

5H-1,2,4-Triazolo[4,3-a][1,5]diazacycloundecine-7-carboxamide, N-ethyl-6,7,8,9,10,11,12,13-octahydro-11-(phenylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylmethyl)- [ACD/Index Name]
N-Ethyl-11-(phenylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylmethyl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-7-carboxamid [German] [ACD/IUPAC Name]
N-Ethyl-11-(phenylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylmethyl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxamide [ACD/IUPAC Name]
N-Éthyl-11-(phénylsulfonyl)-3-(3-pyridinyl)-N-(4-pyridinylméthyl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundécine-7-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 454.7±37.1 °C
Index of Refraction: 1.661
Molar Refractivity: 162.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 64.78
ACD/KOC (pH 5.5): 623.66
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.50
ACD/KOC (pH 7.4): 880.94
Polar Surface Area: 123 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 440.0±7.0 cm3

Click to predict properties on the Chemicalize site


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