ChemSpider 2D Image | 1-Ethyl-3-(1-{4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzyl}-4-piperidinyl)urea | C29H32N6OS

1-Ethyl-3-(1-{4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzyl}-4-piperidinyl)urea

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID9701150

More details:

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

1-Ethyl-3-(1-{4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzyl}-4-piperidinyl)harnstoff [German] [ACD/IUPAC Name]
1-Ethyl-3-(1-{4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzyl}-4-piperidinyl)urea [ACD/IUPAC Name]
1-Éthyl-3-(1-{4-[2-(méthylsulfanyl)-6-phénylpyrido[2,3-d]pyrimidin-7-yl]benzyl}-4-pipéridinyl)urée [French] [ACD/IUPAC Name]
1-ethyl-3-(1-{4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-yl)urea
Urea, N-ethyl-N'-[1-[[4-[2-(methylthio)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-4-piperidinyl]- [ACD/Index Name]
1-ethyl-3-(1-((4-(2-(methylthio)-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl)methyl)piperidin-4-yl)urea
Pyridopyrimidine, 13b

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: 1.686
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 11.02
ACD/KOC (pH 5.5): 63.08
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 343.47
ACD/KOC (pH 7.4): 1965.91
Polar Surface Area: 108 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement