ChemSpider 2D Image | 4-[6-(4-Methylbenzyl)-3-(3-pyridinyl)-2,3-dihydro[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide | C31H30F3N7O2

4-[6-(4-Methylbenzyl)-3-(3-pyridinyl)-2,3-dihydro[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID110249848

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[2,3-dihydro-6-[(4-methylphenyl)methyl]-3-(3-pyridinyl)isoxazolo[5,4-d]pyrimidin-4-yl]hexahydro-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-[6-(4-Methylbenzyl)-3-(3-pyridinyl)-2,3-dihydro[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluormethyl)phenyl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-[6-(4-Methylbenzyl)-3-(3-pyridinyl)-2,3-dihydro[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-[6-(4-Méthylbenzyl)-3-(3-pyridinyl)-2,3-dihydro[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluorométhyl)phényl]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 153.04
ACD/KOC (pH 5.5): 844.37
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 626.55
ACD/KOC (pH 7.4): 3456.97
Polar Surface Area: 96 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 438.3±3.0 cm3

Click to predict properties on the Chemicalize site


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