ChemSpider 2D Image | 2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine | C17H18FN5O2S2

2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine

  • Molecular FormulaC17H18FN5O2S2
  • Average mass407.486 Da
  • Monoisotopic mass407.088593 Da
  • ChemSpider ID30832673

More details:

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

2-[({2-[3-(2-Fluorethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroéthoxy)-4-méthoxyphényl]-1,3-thiazol-4-yl}méthyl)sulfanyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
2-[({2-[3-(2-Fluoroethoxy)-4-Methoxyphenyl]-1,3-Thiazol-4-Yl}methyl)sulfanyl]pyrimidine-4,6-Diamine
4,6-Pyrimidinediamine, 2-[[[2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-4-thiazolyl]methyl]thio]- [ACD/Index Name]
116817-27-7 [RN]
1NM
rac Duloxetine 3-Thiophene Isomer

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 84.43
ACD/KOC (pH 5.5): 759.87
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.08
ACD/KOC (pH 7.4): 1044.62
Polar Surface Area: 163 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

Click to predict properties on the Chemicalize site


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