ChemSpider 2D Image | 1-Benzyl-3-[(4-methylphenyl)sulfonyl]-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one | C19H20N2O3S

1-Benzyl-3-[(4-methylphenyl)sulfonyl]-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one

  • Molecular FormulaC19H20N2O3S
  • Average mass356.439 Da
  • Monoisotopic mass356.119476 Da
  • ChemSpider ID30659475

More details:

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

1-Benzyl-3-[(4-methylphenyl)sulfonyl]-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-on [German] [ACD/IUPAC Name]
1-Benzyl-3-[(4-methylphenyl)sulfonyl]-1,3,4,7-tetrahydro-2H-1,3-diazepin-2-one [ACD/IUPAC Name]
1-Benzyl-3-[(4-méthylphényl)sulfonyl]-1,3,4,7-tétrahydro-2H-1,3-diazépin-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, 1,3,4,7-tetrahydro-1-[(4-methylphenyl)sulfonyl]-3-(phenylmethyl)- [ACD/Index 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: 516.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.4±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.82
ACD/KOC (pH 5.5): 459.88
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.82
ACD/KOC (pH 7.4): 459.88
Polar Surface Area: 66 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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