ChemSpider 2D Image | N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]cyclopentanecarboxamide | C32H45N5O4

N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]cyclopentanecarboxamide

  • Molecular FormulaC32H45N5O4
  • Average mass563.731 Da
  • Monoisotopic mass563.347168 Da
  • ChemSpider ID71342632

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclopentanecarboxamide, N-[(3S,6R,10R,14R,15aS)-tetradecahydro-10-(1H-indol-3-ylmethyl)-6-methyl-3-(1-methylethyl)-1,8,11-trioxo-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]- [ACD/Index Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]cyclopentancarboxamid [German] [ACD/IUPAC Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylmethyl)-3-isopropyl-6-methyl-1,8,11-trioxotetradecahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridecin-14-yl]cyclopentanecarboxamide [ACD/IUPAC Name]
N-[(3S,6R,10R,14R,15aS)-10-(1H-Indol-3-ylméthyl)-3-isopropyl-6-méthyl-1,8,11-trioxotétradécahydro-1H-pyrrolo[2,1-c][1,4,7]triazacyclotridécin-14-yl]cyclopentanecarboxamide [French] [ACD/IUPAC 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: 902.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 499.8±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.97
ACD/KOC (pH 5.5): 720.17
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.97
ACD/KOC (pH 7.4): 720.17
Polar Surface Area: 123 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

Click to predict properties on the Chemicalize site


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