ChemSpider 2D Image | N-benzyl-N-(2-(4-(dimethylamino)phenylamino)-1-(4-isopropylphenyl)-2-oxoethyl)-2-(4,6-dimethylpyrimidin-2-ylthio)acetamide | C34H39N5O2S

N-benzyl-N-(2-(4-(dimethylamino)phenylamino)-1-(4-isopropylphenyl)-2-oxoethyl)-2-(4,6-dimethylpyrimidin-2-ylthio)acetamide

  • Molecular FormulaC34H39N5O2S
  • Average mass581.771 Da
  • Monoisotopic mass581.282471 Da
  • ChemSpider ID3803433

More details:

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

Benzeneacetamide, N-[4-(dimethylamino)phenyl]-α-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl](phenylmethyl)amino]-4-(1-methylethyl)- [ACD/Index Name]
N-benzyl-N-(2-(4-(dimethylamino)phenylamino)-1-(4-isopropylphenyl)-2-oxoethyl)-2-(4,6-dimethylpyrimidin-2-ylthio)acetamide
N-Benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-1-(4-isopropylphenyl)-2-oxoethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-Benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-1-(4-isopropylphenyl)-2-oxoethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide [ACD/IUPAC Name]
N-Benzyl-N-[2-{[4-(diméthylamino)phényl]amino}-1-(4-isopropylphényl)-2-oxoéthyl]-2-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 14021.88
ACD/KOC (pH 5.5): 24783.88
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35111.88
ACD/KOC (pH 7.4): 62060.77
Polar Surface Area: 104 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

Click to predict properties on the Chemicalize site


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