ChemSpider 2D Image | NIK250 | C26H27N3O4S2

NIK250

  • Molecular FormulaC26H27N3O4S2
  • Average mass509.640 Da
  • Monoisotopic mass509.144287 Da
  • ChemSpider ID144004

More details:






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

2,6-Diméthyl-4-(3-méthyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydro-3,5-pyridinedicarboxylate de bis(4-pyridinylméthyle) [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 4-(5,6-dihydro-3-methyl-1,4-dithiin-2-yl)-1,4-dihydro-2,6-dimethyl-, bis(4-pyridinylmethyl) ester [ACD/Index Name]
Bis(4-pyridinylmethyl) 2,6-dimethyl-4-(3-methyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis(4-pyridinylmethyl)-2,6-dimethyl-4-(3-methyl-5,6-dihydro-1,4-dithiin-2-yl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
NIK250
126444-09-5 [RN]
148416-85-7 [RN]
Bis(4-pyridylmethyl)-4-[2-(3-methyl-5,6-dihydro-1,4-dithiinyl)]-2, 6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Bis(4-pyridylmethyl)-4-[2-(3-methyl-5,6-dihydro-1,4-dithiinyl)]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
BIS(PYRIDIN-4-YLMETHYL) 2,6-DIMETHYL-4-(3-METHYL-5,6-DIHYDRO-1,4-DITHIIN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE

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

C11212 [DBID]
NCI60_020780 [DBID]
NK 250 [DBID]
NK-250 [DBID]
NSC658990 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4445.61
ACD/KOC (pH 5.5): 13245.17
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5683.18
ACD/KOC (pH 7.4): 16932.35
Polar Surface Area: 141 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 392.4±3.0 cm3

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