ChemSpider 2D Image | 1,1'-(2-hydroxypropane-1,3-diyl)bis[3-tert-butyl-1-(2-hydroxybenzyl)urea] | C27H40N4O5

1,1'-(2-hydroxypropane-1,3-diyl)bis[3-tert-butyl-1-(2-hydroxybenzyl)urea]

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID401385

More details:

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

1,1'-(2-Hydroxy-1,3-propandiyl)bis[1-(2-hydroxybenzyl)-3-(2-methyl-2-propanyl)harnstoff] [German] [ACD/IUPAC Name]
1,1'-(2-Hydroxy-1,3-propanediyl)bis[1-(2-hydroxybenzyl)-3-(2-methyl-2-propanyl)urea] [ACD/IUPAC Name]
1,1'-(2-Hydroxy-1,3-propanediyl)bis[1-(2-hydroxybenzyl)-3-(2-méthyl-2-propanyl)urée] [French] [ACD/IUPAC Name]
1,1'-(2-hydroxypropane-1,3-diyl)bis[3-tert-butyl-1-(2-hydroxybenzyl)urea]
N,N-(2-Hydroxy-1,3-propanediyl)bis[N-(2-hydroxybenzyl)-N'-(1,1-dimethylethyl)urea]
Urea, N,N''-(2-hydroxy-1,3-propanediyl)bis[N'-(1,1-dimethylethyl)-N-[(2-hydroxyphenyl)methyl]- [ACD/Index Name]
2HOPr-bisUrea isostere
3-tert-Butyl-1-{3-[3-tert-butyl-1-(2-hydroxy-benzyl)-ureido]-2-hydroxy-propyl}-1-(2-hydroxy-benzyl)-urea

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

AIDS006545 [DBID]
AIDS-006545 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 794.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.3±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.99
ACD/KOC (pH 5.5): 1249.85
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.84
ACD/KOC (pH 7.4): 1240.25
Polar Surface Area: 125 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 418.8±3.0 cm3

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