ChemSpider 2D Image | MFCD03461152 | C28H31N3O4S

MFCD03461152

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID1252151

More details:

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

2,6-Diméthyl-4-[1-phényl-3-(2-thiényl)-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate de diisopropyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, bis(1-methylethyl) ester [ACD/Index Name]
438458-53-8 [RN]
Diisopropyl 2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diisopropyl 2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Diisopropyl-2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
MFCD03461152
3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Diisopropyl 2,6-dimethyl-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dipropan-2-yl 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ChemDiv1_010132 [DBID]
EU-0078239 [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: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23833.96
ACD/KOC (pH 5.5): 47248.18
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23909.84
ACD/KOC (pH 7.4): 47398.60
Polar Surface Area: 111 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 405.8±7.0 cm3

Click to predict properties on the Chemicalize site


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