ChemSpider 2D Image | 1-[2-({4-[(2-Amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)methyl]phenoxy}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea | C32H29N7O2

1-[2-({4-[(2-Amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)methyl]phenoxy}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID4923682

More details:

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

1-[2-({4-[(2-Amino-3-cyan-4,5-dimethyl-1H-pyrrol-1-yl)methyl]phenoxy}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)harnstoff [German] [ACD/IUPAC Name]
1-[2-({4-[(2-Amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)methyl]phenoxy}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea [ACD/IUPAC Name]
1-[2-({4-[(2-Amino-3-cyano-4,5-diméthyl-1H-pyrrol-1-yl)méthyl]phénoxy}méthyl)phényl]-3-(6-phényl-3-pyridazinyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[4-[(2-amino-3-cyano-4,5-dimethyl-1H-pyrrol-1-yl)methyl]phenoxy]methyl]phenyl]-N'-(6-phenyl-3-pyridazinyl)- [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: 755.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.6±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 159.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5798.08
ACD/KOC (pH 5.5): 17164.20
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5828.54
ACD/KOC (pH 7.4): 17254.36
Polar Surface Area: 131 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 429.5±7.0 cm3

Click to predict properties on the Chemicalize site


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