ChemSpider 2D Image | Ethyl 1-{4-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-4-piperidinecarboxylate | C33H41N5O5S

Ethyl 1-{4-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-4-piperidinecarboxylate

  • Molecular FormulaC33H41N5O5S
  • Average mass619.774 Da
  • Monoisotopic mass619.282837 Da
  • ChemSpider ID21565128

More details:

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

1-{4-[({4-(Méthoxyméthyl)-6-[4-(4-méthoxyphényl)-1-pipérazinyl]-2-pyrimidinyl}sulfanyl)méthyl]benzoyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-[[[4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{4-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{4-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl}sulfanyl)methyl]benzoyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 171.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 74.82
ACD/KOC (pH 5.5): 554.53
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.50
ACD/KOC (pH 7.4): 1671.35
Polar Surface Area: 123 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 476.1±5.0 cm3

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