ChemSpider 2D Image | N-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}-2-quinoxalinecarboxamide | C36H37N7O4

N-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}-2-quinoxalinecarboxamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID5133994

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Quinoxalinecarboxamide, N-[[4-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
N-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}-2-chinoxalincarboxamid [German] [ACD/IUPAC Name]
N-{4-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]benzyl}-2-quinoxalinecarboxamide [ACD/IUPAC Name]
N-{4-[(2R,4S,6R)-4-[4-(Hydroxyméthyl)phényl]-6-{[4-(2-pyrimidinyl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl]benzyl}-2-quinoxalinecarboxamide [French] [ACD/IUPAC Name]

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

DIOX2_020733 [DBID]

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: 1.655
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 166.51
ACD/KOC (pH 5.5): 891.21
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 696.09
ACD/KOC (pH 7.4): 3725.74
Polar Surface Area: 126 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 485.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement