ChemSpider 2D Image | XL888 | C29H37N5O3

XL888

  • Molecular FormulaC29H37N5O3
  • Average mass503.636 Da
  • Monoisotopic mass503.289642 Da
  • ChemSpider ID32698341
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1,4-Benzenedicarboxamide, N1-[(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-5-[[(1R)-1-methylpropyl]amino]- [ACD/Index Name]
1149705-71-4 [RN]
5-[(2R)-2-Butanylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-méthyltéréphtalamide [French] [ACD/IUPAC Name]
5-[(2R)-2-Butanylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylterephthalamid [German] [ACD/IUPAC Name]
5-[(2R)-2-Butanylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylterephthalamide [ACD/IUPAC Name]
7M346920EV
XL888
XL-888
5-{[(2R)-butan-2-yl]amino}-N1-[(1R,3S,5S)-8-(5-cyclopropanecarbonylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzene-1,4-dicarboxamide
N1-[(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-5-[[(1R)-1-methylpropyl]amino]-1,4-Benzenedicarboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 41.26
ACD/KOC (pH 5.5): 228.37
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 546.71
ACD/KOC (pH 7.4): 3025.61
Polar Surface Area: 117 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

Click to predict properties on the Chemicalize site






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