ChemSpider 2D Image | N,N-Diethyl-5-{[4-(2-isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]carbonyl}-1-methyl-3-pyrrolidinesulfonamide | C22H38N6O3S

N,N-Diethyl-5-{[4-(2-isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]carbonyl}-1-methyl-3-pyrrolidinesulfonamide

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID109862394

More details:

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

3-Pyrrolidinesulfonamide, N,N-diethyl-1-methyl-5-[[4-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
N,N-Diethyl-5-{[4-(2-isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]carbonyl}-1-methyl-3-pyrrolidinesulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-5-{[4-(2-isopropyl-6-méthyl-4-pyrimidinyl)-1-pipérazinyl]carbonyl}-1-méthyl-3-pyrrolidinesulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-5-{[4-(2-isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]carbonyl}-1-methyl-3-pyrrolidinsulfonamid [German] [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: 631.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 98 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

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