ChemSpider 2D Image | 1-(4-{4,6-Bis[(3R)-3-methyl-4-morpholinyl]-1,3,5-triazin-2-yl}phenyl)-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea | C32H41N9O4

1-(4-{4,6-Bis[(3R)-3-methyl-4-morpholinyl]-1,3,5-triazin-2-yl}phenyl)-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea

  • Molecular FormulaC32H41N9O4
  • Average mass615.726 Da
  • Monoisotopic mass615.328125 Da
  • ChemSpider ID24668294

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-{4,6-Bis[(3R)-3-methyl-4-morpholinyl]-1,3,5-triazin-2-yl}phenyl)-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-{4,6-Bis[(3R)-3-methyl-4-morpholinyl]-1,3,5-triazin-2-yl}phenyl)-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea [ACD/IUPAC Name]
1-(4-{4,6-Bis[(3R)-3-méthyl-4-morpholinyl]-1,3,5-triazin-2-yl}phényl)-3-{4-[(4-méthyl-1-pipérazinyl)carbonyl]phényl}urée [French] [ACD/IUPAC Name]
Urea, N-[4-[4,6-bis[(3R)-3-methyl-4-morpholinyl]-1,3,5-triazin-2-yl]phenyl]-N'-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 109.76
Polar Surface Area: 128 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 477.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement