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Search term: PHBXCQHBDGMLOV-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-Cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylnicotinamide | C31H28N4O4S

5-Cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylnicotinamide

  • Molecular FormulaC31H28N4O4S
  • Average mass552.643 Da
  • Monoisotopic mass552.183105 Da
  • ChemSpider ID1288425

More details:






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

3-Pyridinecarboxamide, 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-N-phenyl- [ACD/Index Name]
5-Cyan-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylnicotinamid [German] [ACD/IUPAC Name]
5-Cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylnicotinamide [ACD/IUPAC Name]
5-Cyano-4-(3,4-diméthoxyphényl)-2-méthyl-6-({2-[(2-méthylphényl)amino]-2-oxoéthyl}sulfanyl)-N-phénylnicotinamide [French] [ACD/IUPAC Name]
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylpyridine-3-carboxamide
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
5-Cyano-4-(3,4-dimethoxy-phenyl)-2-methyl-N-phenyl-6-(o-tolylcarbamoyl-methylsulfanyl)-nicotinamide
c31h28n4o4s

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

NCGC00099321-01 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4900.25
ACD/KOC (pH 5.5): 15242.09
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4896.33
ACD/KOC (pH 7.4): 15229.92
Polar Surface Area: 139 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 416.2±5.0 cm3

Click to predict properties on the Chemicalize site






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