ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide | C31H30N4O4S

N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID3656977

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](phenylmethyl)amino]-4-methyl- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-méthylphényl)-2-oxoéthyl]-N-benzyl-2-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(benzo[d][1,3]dioxol-5-yl)-2-(N-benzyl-2-(4,6-dimethylpyrimidin-2-ylthio)acetamido)-2-p-tolylacetamide
N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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: 783.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.8±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4366.15
ACD/KOC (pH 5.5): 14033.45
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4366.38
ACD/KOC (pH 7.4): 14034.17
Polar Surface Area: 119 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

Click to predict properties on the Chemicalize site


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