ChemSpider 2D Image | N-({4'-[(2R,4S,6R)-4-[4-(Hydroxymethyl)phenyl]-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-dioxan-2-yl]-3-biphenylyl}methyl)acetamide | C35H39N5O4

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

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID5134018

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[[4'-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]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]-3-biphenylyl}methyl)acetamid [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]-3-biphenylyl}methyl)acetamide [ACD/IUPAC Name]
N-({4'-[(2R,4S,6R)-4-[4-(Hydroxyméthyl)phényl]-6-{[4-(2-pyrimidinyl)-1-pipérazinyl]méthyl}-1,3-dioxan-2-yl]-3-biphénylyl}méthyl)acétamide [French] [ACD/IUPAC Name]

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

DIOX2_020758 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 167.00
ACD/KOC (pH 5.5): 923.79
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 624.65
ACD/KOC (pH 7.4): 3455.31
Polar Surface Area: 100 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 484.1±3.0 cm3

Click to predict properties on the Chemicalize site


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