ChemSpider 2D Image | (1R,6S,8S,23S)-6-(Cyclopentylamino)-23-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,10,20-triazatetracyclo[18.3.1.0~4,8~.0~12,17~]tetracosa-12,14,16-triene-3,9,19-trione | C32H45N5O4

(1R,6S,8S,23S)-6-(Cyclopentylamino)-23-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,10,20-triazatetracyclo[18.3.1.04,8.012,17]tetracosa-12,14,16-triene-3,9,19-trione

  • Molecular FormulaC32H45N5O4
  • Average mass563.731 Da
  • Monoisotopic mass563.347168 Da
  • ChemSpider ID90615034

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6S,8S,23S)-6-(Cyclopentylamino)-23-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,10,20-triazatetracyclo[18.3.1.04,8.012,17]tetracosa-12,14,16-trien-3,9,19-trion [German] [ACD/IUPAC Name]
(1R,6S,8S,23S)-6-(Cyclopentylamino)-23-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,10,20-triazatetracyclo[18.3.1.04,8.012,17]tetracosa-12,14,16-triene-3,9,19-trione [ACD/IUPAC Name]
(1R,6S,8S,23S)-6-(Cyclopentylamino)-23-[2-oxo-2-(1-pyrrolidinyl)éthyl]-4,10,20-triazatétracyclo[18.3.1.04,8.012,17]tétracosa-12,14,16-triène-3,9,19-trione [French] [ACD/IUPAC Name]
1H-7,11-Methanopyrrolo[2,1-d][2,5,12]benzotriazacyclohexadecine-5,12,20(6H,13H,20aH)-trione, 2-(cyclopentylamino)-2,3,7,8,9,10,18,19-octahydro-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-, (2S,7R,8S,20aS)- [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: 851.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.47
Polar Surface Area: 102 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 442.8±5.0 cm3

Click to predict properties on the Chemicalize site


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