Found 23 results

Search term: MF = 'C_{39}H_{40}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | N-(3-{4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylsulfanyl)methyl]-1,3-dioxan-2-yl}phenyl)-Nalpha-[(4-methylphenyl)sulfonyl]phenylalaninamide | C39H40N4O6S2

N-(3-{4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylsulfanyl)methyl]-1,3-dioxan-2-yl}phenyl)-Nα-[(4-methylphenyl)sulfonyl]phenylalaninamide

  • Molecular FormulaC39H40N4O6S2
  • Average mass724.888 Da
  • Monoisotopic mass724.238953 Da
  • ChemSpider ID4315842

More details:

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

Benzenepropanamide, N-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylthio)methyl]-1,3-dioxan-2-yl]phenyl]-α-[[(4-methylphenyl)sulfonyl]amino]- [ACD/Index Name]
N-(3-{4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylsulfanyl)methyl]-1,3-dioxan-2-yl}phenyl)-Nα-[(4-methylphenyl)sulfonyl]phenylalaninamid [German] [ACD/IUPAC Name]
N-(3-{4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylsulfanyl)methyl]-1,3-dioxan-2-yl}phenyl)-Nα-[(4-methylphenyl)sulfonyl]phenylalaninamide [ACD/IUPAC Name]
N-(3-{4-[4-(Hydroxyméthyl)phényl]-5-méthyl-6-[(2-pyrimidinylsulfanyl)méthyl]-1,3-dioxan-2-yl}phényl)-Nα-[(4-méthylphényl)sulfonyl]phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 199.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25830.69
ACD/KOC (pH 5.5): 50089.66
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25136.72
ACD/KOC (pH 7.4): 48743.93
Polar Surface Area: 173 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 526.9±5.0 cm3

Click to predict properties on the Chemicalize site


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