ChemSpider 2D Image | 4,6,7-Trimethyl-2-{4-[4-(1H-pyrazol-1-yl)-2-butanyl]-1,4-diazepan-1-yl}quinazoline | C23H32N6

4,6,7-Trimethyl-2-{4-[4-(1H-pyrazol-1-yl)-2-butanyl]-1,4-diazepan-1-yl}quinazoline

  • Molecular FormulaC23H32N6
  • Average mass392.540 Da
  • Monoisotopic mass392.268860 Da
  • ChemSpider ID22203440

More details:

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

4,6,7-Trimethyl-2-{4-[4-(1H-pyrazol-1-yl)-2-butanyl]-1,4-diazepan-1-yl}chinazolin [German] [ACD/IUPAC Name]
4,6,7-Trimethyl-2-{4-[4-(1H-pyrazol-1-yl)-2-butanyl]-1,4-diazepan-1-yl}quinazoline [ACD/IUPAC Name]
4,6,7-Triméthyl-2-{4-[4-(1H-pyrazol-1-yl)-2-butanyl]-1,4-diazépan-1-yl}quinazoline [French] [ACD/IUPAC Name]
Quinazoline, 2-[hexahydro-4-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-1H-1,4-diazepin-1-yl]-4,6,7-trimethyl- [ACD/Index Name]
4,6,7-trimethyl-2-{4-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-1,4-diazepan-1-yl}quinazoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.3±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.92
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 145.99
ACD/KOC (pH 7.4): 753.71
Polar Surface Area: 50 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 331.6±7.0 cm3

Click to predict properties on the Chemicalize site


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