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ChemSpider 2D Image | 1-(2-{4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2,5-pyrrolidinedione | C16H23N5O5S

1-(2-{4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2,5-pyrrolidinedione

  • Molecular FormulaC16H23N5O5S
  • Average mass397.449 Da
  • Monoisotopic mass397.141998 Da
  • ChemSpider ID35006847

More details:

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

1-(2-{4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-(2-{4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-(2-{4-[(3,5-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]- [ACD/Index Name]
1-(2-(4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.1±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.93
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.93
Polar Surface Area: 132 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 277.7±3.0 cm3

Click to predict properties on the Chemicalize site


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