Found 542 results

Search term: MF = 'C_{29}H_{35}FN_{4}O_{5}'
ChemSpider 2D Image | (6S,10S,18aR)-N-[2-(4-Fluorophenyl)-2-methylpropyl]-6-methyl-5,8,12-trioxo-2,3,5,6,7,8,9,10,11,12,18,18a-dodecahydro-1H-pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotetradecine-10-carboxamide | C29H35FN4O5

(6S,10S,18aR)-N-[2-(4-Fluorophenyl)-2-methylpropyl]-6-methyl-5,8,12-trioxo-2,3,5,6,7,8,9,10,11,12,18,18a-dodecahydro-1H-pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotetradecine-10-carboxamide

  • Molecular FormulaC29H35FN4O5
  • Average mass538.610 Da
  • Monoisotopic mass538.259155 Da
  • ChemSpider ID80820946

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,10S,18aR)-N-[2-(4-Fluorophenyl)-2-methylpropyl]-6-methyl-5,8,12-trioxo-2,3,5,6,7,8,9,10,11,12,18,18a-dodecahydro-1H-pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotetradecine-10-carboxamide [ACD/IUPAC Name]
(6S,10S,18aR)-N-[2-(4-Fluorophényl)-2-méthylpropyl]-6-méthyl-5,8,12-trioxo-2,3,5,6,7,8,9,10,11,12,18,18a-dodécahydro-1H-pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotétradécine-10-carboxamide [French] [ACD/IUPAC Name]
(6S,10S,18aR)-N-[2-(4-Fluorphenyl)-2-methylpropyl]-6-methyl-5,8,12-trioxo-2,3,5,6,7,8,9,10,11,12,18,18a-dodecahydro-1H-pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotetradecin-10-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrrolo[2,1-c][1,4,7,11]benzoxatriazacyclotetradecine-10-carboxamide, N-[2-(4-fluorophenyl)-2-methylpropyl]-2,3,5,6,7,8,9,10,11,12,18,18a-dodecahydro-6-methyl-5,8,12-trioxo-, (6S,10S,18aR)- [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: 870.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 480.5±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 87.46
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 87.45
Polar Surface Area: 117 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

Click to predict properties on the Chemicalize site


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