ChemSpider 2D Image | (2-Cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-azetidinyl}methanone | C25H30N6O2

(2-Cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-azetidinyl}methanone

  • Molecular FormulaC25H30N6O2
  • Average mass446.545 Da
  • Monoisotopic mass446.243011 Da
  • ChemSpider ID26329499

More details:

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

(2-Cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-azetidinyl}methanon [German] [ACD/IUPAC Name]
(2-Cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-azetidinyl}methanone [ACD/IUPAC Name]
(2-Cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(2-pyrimidinyl)-1-pipérazinyl]-1-azétidinyl}méthanone [French] [ACD/IUPAC Name]
(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone
Methanone, (2-cyclohexyl-6-benzoxazolyl)[3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-azetidinyl]- [ACD/Index Name]
ZYH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 10.76
ACD/KOC (pH 5.5): 113.50
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 62.74
ACD/KOC (pH 7.4): 661.57
Polar Surface Area: 79 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

Click to predict properties on the Chemicalize site


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