ChemSpider 2D Image | (3R,4S)-N-Cyclopropyl-4-[1-(3,5-dimethoxybenzyl)-1H-indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide | C38H44N4O6

(3R,4S)-N-Cyclopropyl-4-[1-(3,5-dimethoxybenzyl)-1H-indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide

  • Molecular FormulaC38H44N4O6
  • Average mass652.779 Da
  • Monoisotopic mass652.326111 Da
  • ChemSpider ID10164628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-N-Cyclopropyl-4-[1-(3,5-dimethoxybenzyl)-1H-indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,4S)-N-Cyclopropyl-4-[1-(3,5-dimethoxybenzyl)-1H-indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,4S)-N-Cyclopropyl-4-[1-(3,5-diméthoxybenzyl)-1H-indol-4-yl]-N-[4-(3-méthoxypropyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-cyclopropyl-N-[3,4-dihydro-4-(3-methoxypropyl)-3-oxo-2H-1,4-benzoxazin-6-yl]-4-[1-[(3,5-dimethoxyphenyl)methyl]-1H-indol-4-yl]-, (3R,4S)- [ACD/Index 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: 883.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 488.0±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 181.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 8.76
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 62.28
ACD/KOC (pH 7.4): 268.83
Polar Surface Area: 95 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 498.3±7.0 cm3

Click to predict properties on the Chemicalize site


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