ChemSpider 2D Image | Methyl 3-{[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl](2-pyrazinylcarbonyl)amino}benzoate | C30H34N4O4

Methyl 3-{[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl](2-pyrazinylcarbonyl)amino}benzoate

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID2435994

More details:

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

3-{[2-(Cyclohexylamino)-1-(4-isopropylphényl)-2-oxoéthyl](2-pyrazinylcarbonyl)amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(cyclohexylamino)-1-[4-(1-methylethyl)phenyl]-2-oxoethyl](2-pyrazinylcarbonyl)amino]-, methyl ester [ACD/Index Name]
Methyl 3-{[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl](2-pyrazinylcarbonyl)amino}benzoate [ACD/IUPAC Name]
Methyl-3-{[2-(cyclohexylamino)-1-(4-isopropylphenyl)-2-oxoethyl](2-pyrazinylcarbonyl)amino}benzoat [German] [ACD/IUPAC Name]
METHYL 3-{N-[(CYCLOHEXYLCARBAMOYL)(4-ISOPROPYLPHENYL)METHYL]PYRAZINE-2-AMIDO}BENZOATE
METHYL 3-{N-[(CYCLOHEXYLCARBAMOYL)[4-(PROPAN-2-YL)PHENYL]METHYL]PYRAZINE-2-AMIDO}BENZOATE

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

ASN 04361958 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1370.38
ACD/KOC (pH 5.5): 6122.77
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1370.37
ACD/KOC (pH 7.4): 6122.77
Polar Surface Area: 101 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 415.1±5.0 cm3

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