ChemSpider 2D Image | 3-(2-{4-[(4-Chloro-1H-pyrazol-3-yl)carbonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one | C14H18ClN5O4

3-(2-{4-[(4-Chloro-1H-pyrazol-3-yl)carbonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one

  • Molecular FormulaC14H18ClN5O4
  • Average mass355.777 Da
  • Monoisotopic mass355.104736 Da
  • ChemSpider ID70972069

More details:

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

2-Oxazolidinone, 3-[2-[4-[(4-chloro-1H-pyrazol-3-yl)carbonyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]- [ACD/Index Name]
3-(2-{4-[(4-Chlor-1H-pyrazol-3-yl)carbonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
3-(2-{4-[(4-Chloro-1H-pyrazol-3-yl)carbonyl]-1,4-diazepan-1-yl}-2-oxoethyl)-1,3-oxazolidin-2-one [ACD/IUPAC Name]
3-(2-{4-[(4-Chloro-1H-pyrazol-3-yl)carbonyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.70
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.70
Polar Surface Area: 99 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 241.4±3.0 cm3

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