ChemSpider 2D Image | 6-[(1R)-1-{[4-(2-Isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine | C25H30N8OS

6-[(1R)-1-{[4-(2-Isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC25H30N8OS
  • Average mass490.624 Da
  • Monoisotopic mass490.226318 Da
  • ChemSpider ID62685134

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazin-2-amine, 1,6-dihydro-6-imino-4-[(1R)-1-[[5-(4-methoxyphenyl)-4-[2-(1-methylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]ethyl]-N,N-dimethyl- [ACD/Index Name]
1,3,5-Triazine-2,4-diamine, 6-[(1R)-1-[[5-(4-methoxyphenyl)-4-[2-(1-methylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]ethyl]-N2,N2-dimethyl- [ACD/Index Name]
6-[(1R)-1-{[4-(2-Isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-[(1R)-1-{[4-(2-Isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-[(1R)-1-{[4-(2-Isopropylphényl)-5-(4-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthyl]-N,N-diméthyl-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
6-Imino-4-[(1R)-1-{[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,6-dihydro-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
6-Imino-4-[(1R)-1-{[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl]-N,N-dimethyl-1,6-dihydro-1,3,5-triazin-2-amine [ACD/IUPAC Name]
6-Imino-4-[(1R)-1-{[4-(2-isopropylphényl)-5-(4-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthyl]-N,N-diméthyl-1,6-dihydro-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 630.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.11
ACD/KOC (pH 5.5): 1691.00
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.21
ACD/KOC (pH 7.4): 1691.74
Polar Surface Area: 129 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 378.2±7.0 cm3

Click to predict properties on the Chemicalize site


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