ChemSpider 2D Image | N-Benzyl-N-(1,1-dioxidotetrahydro-3-thiophenyl)-2-(4-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,4-diazepan-1-yl)acetamide | C24H38N4O4S

N-Benzyl-N-(1,1-dioxidotetrahydro-3-thiophenyl)-2-(4-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,4-diazepan-1-yl)acetamide

  • Molecular FormulaC24H38N4O4S
  • Average mass478.648 Da
  • Monoisotopic mass478.261383 Da
  • ChemSpider ID21970828

More details:

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

1H-1,4-Diazepine-1,4(5H)-diacetamide, N1-(1,1-dimethylethyl)tetrahydro-N4-(phenylmethyl)-N4-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-Benzyl-N-(1,1-dioxidotetrahydro-3-thiophenyl)-2-(4-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,4-diazepan-1-yl)acetamid [German] [ACD/IUPAC Name]
N-Benzyl-N-(1,1-dioxidotetrahydro-3-thiophenyl)-2-(4-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1,4-diazepan-1-yl)acetamide [ACD/IUPAC Name]
N-Benzyl-N-(1,1-dioxydotétrahydro-3-thiophényl)-2-(4-{2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-1,4-diazépan-1-yl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.51
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 70.22
Polar Surface Area: 98 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

Click to predict properties on the Chemicalize site


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