ChemSpider 2D Image | 6-Bromo-3-{3-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-3-oxopropyl}-4(3H)-quinazolinone | C17H21BrN4O4S

6-Bromo-3-{3-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-3-oxopropyl}-4(3H)-quinazolinone

  • Molecular FormulaC17H21BrN4O4S
  • Average mass457.342 Da
  • Monoisotopic mass456.046692 Da
  • ChemSpider ID30523835

More details:

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

4(3H)-Quinazolinone, 6-bromo-3-[3-[hexahydro-4-(methylsulfonyl)-1H-1,4-diazepin-1-yl]-3-oxopropyl]- [ACD/Index Name]
6-Brom-3-{3-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-3-oxopropyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
6-Bromo-3-{3-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-3-oxopropyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
6-Bromo-3-{3-[4-(méthylsulfonyl)-1,4-diazépan-1-yl]-3-oxopropyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 669.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.54
ACD/KOC (pH 5.5): 102.75
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 102.75
Polar Surface Area: 99 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 284.3±7.0 cm3

Click to predict properties on the Chemicalize site


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