ChemSpider 2D Image | Dimethyl 2,6-dimethyl-4-{3-[({3-[4-(4-thiomorpholinyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-1,4-dihydro-3,5-pyridinedicarboxylate | C30H43N5O5S

Dimethyl 2,6-dimethyl-4-{3-[({3-[4-(4-thiomorpholinyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC30H43N5O5S
  • Average mass585.758 Da
  • Monoisotopic mass585.298462 Da
  • ChemSpider ID8320533

More details:

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

2,6-Diméthyl-4-{3-[({3-[4-(4-thiomorpholinyl)-1-pipéridinyl]propyl}carbamoyl)amino]phényl}-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[3-[[[[3-[4-(4-thiomorpholinyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 2,6-dimethyl-4-{3-[({3-[4-(4-thiomorpholinyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-2,6-dimethyl-4-{3-[({3-[4-(4-thiomorpholinyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-1,4-dihydro-3,5-pyridindicarboxylat [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: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 9.21
ACD/KOC (pH 7.4): 53.04
Polar Surface Area: 138 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 479.5±3.0 cm3

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