ChemSpider 2D Image | 2-Propoxyethyl 5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate | C24H33N3O8S

2-Propoxyethyl 5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC24H33N3O8S
  • Average mass523.599 Da
  • Monoisotopic mass523.198853 Da
  • ChemSpider ID113699

More details:






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

2-Propoxyethyl 5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
2-Propoxyethyl-5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((((1-methylethyl)amino)sulfonyl)acetyl)-4-(3-nitrophenyl)-, 2-propoxyethyl ester
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[2-[[(1-methylethyl)amino]sulfonyl]acetyl]-4-(3-nitrophenyl)-, 2-propoxyethyl ester [ACD/Index Name]
5-[2-(Isopropylsulfamoyl)acétyl]-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylate de 2-propoxyéthyle [French] [ACD/IUPAC Name]
103295-92-7 [RN]
2-Propoxyethyl 5-(2-(N-isopropylsulfamoyl)acetyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
2-Propoxyethyl-1,4-dihydro-5-((isopropylsulfamoyl)acetyl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinate
Ro 18-3981

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

RO-183981 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 657.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.2±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.67
ACD/KOC (pH 5.5): 1580.41
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.23
ACD/KOC (pH 7.4): 1576.99
Polar Surface Area: 165 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 418.0±3.0 cm3

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