ChemSpider 2D Image | N-(benzo[d][1,3]dioxol-5-yl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-methylbenzyl)acetamido)-2-(4-isopropylphenyl)acetamide | C34H36N4O4S

N-(benzo[d][1,3]dioxol-5-yl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-methylbenzyl)acetamido)-2-(4-isopropylphenyl)acetamide

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID3776309

More details:

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

Benzeneacetamide, N-1,3-benzodioxol-5-yl-α-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl][(2-methylphenyl)methyl]amino]-4-(1-methylethyl)- [ACD/Index Name]
N-(benzo[d][1,3]dioxol-5-yl)-2-(2-(4,6-dimethylpyrimidin-2-ylthio)-N-(2-methylbenzyl)acetamido)-2-(4-isopropylphenyl)acetamide
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylbenzyl)acetamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylbenzyl)acetamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-isopropylphényl)-2-oxoéthyl]-2-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]-N-(2-méthylbenzyl)acétamide [French] [ACD/IUPAC Name]
N-{2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-[4-(propan-2-yl)phenyl]ethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 52868.38
ACD/KOC (pH 5.5): 83643.82
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52870.76
ACD/KOC (pH 7.4): 83647.59
Polar Surface Area: 119 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 461.5±5.0 cm3

Click to predict properties on the Chemicalize site


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