ChemSpider 2D Image | 3-(2,4-Dimethoxyphenyl)-3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}propanoic acid | C17H20N4O7

3-(2,4-Dimethoxyphenyl)-3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}propanoic acid

  • Molecular FormulaC17H20N4O7
  • Average mass392.363 Da
  • Monoisotopic mass392.133209 Da
  • ChemSpider ID54358988

More details:






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

3-(2,4-Dimethoxyphenyl)-3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}propanoic acid [ACD/IUPAC Name]
3-(2,4-Dimethoxyphenyl)-3-{[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}propansäure [German] [ACD/IUPAC Name]
Acide 3-(2,4-diméthoxyphényl)-3-{[(1,3-diméthyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino]-2,4-dimethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 276.1±7.0 cm3

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