ChemSpider 2D Image | 2-Methyl-2-propanyl [(1R)-1-{3-[(2S)-2-{[4-(2-phenyl-6,7-dihydro-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino}propyl]phenyl}ethyl]carbamate | C32H37N7O3

2-Methyl-2-propanyl [(1R)-1-{3-[(2S)-2-{[4-(2-phenyl-6,7-dihydro-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino}propyl]phenyl}ethyl]carbamate

  • Molecular FormulaC32H37N7O3
  • Average mass567.681 Da
  • Monoisotopic mass567.295776 Da
  • ChemSpider ID9895816

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R)-1-{3-[(2S)-2-{[4-(2-Phényl-6,7-dihydro-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino}propyl]phényl}éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1R)-1-{3-[(2S)-2-{[4-(2-phenyl-6,7-dihydro-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino}propyl]phenyl}ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1R)-1-{3-[(2S)-2-{[4-(2-phenyl-6,7-dihydro-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino}propyl]phenyl}ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-[3-[(2S)-2-[[4-(6,7-dihydro-2-phenyl-8H-pyrimido[5,4-b][1,4]oxazin-8-yl)-2-pyrimidinyl]amino]propyl]phenyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4884.66
ACD/KOC (pH 5.5): 15181.94
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4913.27
ACD/KOC (pH 7.4): 15270.88
Polar Surface Area: 114 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 462.7±3.0 cm3

Click to predict properties on the Chemicalize site


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