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Search term: UGEFECOTMZPOER-KCHLEUMXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (7S,10S,13S)-N-Cyclopentyl-10-[2-(4-morpholinyl)ethyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide | C32H47N5O6

(7S,10S,13S)-N-Cyclopentyl-10-[2-(4-morpholinyl)ethyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide

  • Molecular FormulaC32H47N5O6
  • Average mass597.745 Da
  • Monoisotopic mass597.352661 Da
  • ChemSpider ID129237714

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7S,10S,13S)-N-Cyclopentyl-10-[2-(4-morpholinyl)ethyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-7-carboxamid [German] [ACD/IUPAC Name]
(7S,10S,13S)-N-Cyclopentyl-10-[2-(4-morpholinyl)ethyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide [ACD/IUPAC Name]
(7S,10S,13S)-N-Cyclopentyl-10-[2-(4-morpholinyl)éthyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadéca-1(19),15,17-triène-7-carboxamide [French] [ACD/IUPAC Name]
2-Oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, N-cyclopentyl-10-[2-(4-morpholinyl)ethyl]-9,12-dioxo-13-(2-oxo-1-pyrrolidinyl)-, (7S,10S,13S)- [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: 922.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 511.8±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 55.43
Polar Surface Area: 129 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 474.0±5.0 cm3

Click to predict properties on the Chemicalize site


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