ChemSpider 2D Image | (6S,10S)-6-Isobutyl-4-methyl-10-[(2-oxo-1-piperazinyl)carbonyl]-3,4,6,7,10,11-hexahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,8,12(9H)-trione | C24H33N5O6

(6S,10S)-6-Isobutyl-4-methyl-10-[(2-oxo-1-piperazinyl)carbonyl]-3,4,6,7,10,11-hexahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,8,12(9H)-trione

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID80827386

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,10S)-6-Isobutyl-4-methyl-10-[(2-oxo-1-piperazinyl)carbonyl]-3,4,6,7,10,11-hexahydro-2H-1,4,7,11-benzoxatriazacyclotetradecin-5,8,12(9H)-trion [German] [ACD/IUPAC Name]
(6S,10S)-6-Isobutyl-4-methyl-10-[(2-oxo-1-piperazinyl)carbonyl]-3,4,6,7,10,11-hexahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,8,12(9H)-trione [ACD/IUPAC Name]
(6S,10S)-6-Isobutyl-4-méthyl-10-[(2-oxo-1-pipérazinyl)carbonyl]-3,4,6,7,10,11-hexahydro-2H-1,4,7,11-benzoxatriazacyclotétradécine-5,8,12(9H)-trione [French] [ACD/IUPAC Name]
2H-1,4,7,11-Benzoxatriazacyclotetradecine-5,8,12(9H)-trione, 3,4,6,7,10,11-hexahydro-4-methyl-6-(2-methylpropyl)-10-[(2-oxo-1-piperazinyl)carbonyl]-, (6S,10S)- [ACD/Index 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: 836.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 459.9±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.56
Polar Surface Area: 137 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 410.1±3.0 cm3

Click to predict properties on the Chemicalize site


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