ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-pyrazinecarboxamide | C30H34N4O4

N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-pyrazinecarboxamide

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID2436002

More details:

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

2-Pyrazinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-[4-(1-methylethyl)phenyl]-2-oxoethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-2-pyrazinecarboxamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N-[2-(cyclohexylamino)-1-(4-isopropylphényl)-2-oxoéthyl]-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]

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

ASN 04361972 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 449.78
ACD/KOC (pH 5.5): 2758.19
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 449.78
ACD/KOC (pH 7.4): 2758.19
Polar Surface Area: 94 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

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