ChemSpider 2D Image | N-Cyclohexyl-4-[6-(4-methylbenzyl)-3-(3-pyridinyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide | C30H35N7O2

N-Cyclohexyl-4-[6-(4-methylbenzyl)-3-(3-pyridinyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC30H35N7O2
  • Average mass525.645 Da
  • Monoisotopic mass525.285217 Da
  • ChemSpider ID29253998

More details:

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

1H-1,4-Diazepine-1-carboxamide, N-cyclohexylhexahydro-4-[6-[(4-methylphenyl)methyl]-3-(3-pyridinyl)isoxazolo[5,4-d]pyrimidin-4-yl]- [ACD/Index Name]
N-Cyclohexyl-4-[6-(4-methylbenzyl)-3-(3-pyridinyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-4-[6-(4-methylbenzyl)-3-(3-pyridinyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-Cyclohexyl-4-[6-(4-méthylbenzyl)-3-(3-pyridinyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 743.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 515.24
ACD/KOC (pH 5.5): 3036.83
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 517.07
ACD/KOC (pH 7.4): 3047.58
Polar Surface Area: 100 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

Click to predict properties on the Chemicalize site


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