ChemSpider 2D Image | Toreforant | C23H32N6

Toreforant

  • Molecular FormulaC23H32N6
  • Average mass392.540 Da
  • Monoisotopic mass392.268860 Da
  • ChemSpider ID31389942

More details:

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

2-Pyrimidinamine, 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methyl-4-piperidinyl)propyl]- [ACD/Index Name]
5-(4,6-Dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methyl-4-piperidinyl)propyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-(4,6-Dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methyl-4-piperidinyl)propyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-(4,6-Diméthyl-1H-benzimidazol-2-yl)-4-méthyl-N-[3-(1-méthyl-4-pipéridinyl)propyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
952494-46-1 [RN]
JNJ-38518168
toreforant [Spanish] [INN]
Toreforant [INN] [USAN]
toréforant [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10046 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 611.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.4±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 5.47
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 15.68
ACD/KOC (pH 7.4): 63.53
Polar Surface Area: 70 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

Click to predict properties on the Chemicalize site


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