ChemSpider 2D Image | 2-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]ethanone | C29H35ClN2O4

2-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]ethanone

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID80805765

More details:

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

2-(8-Chlor-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]ethanon [German] [ACD/IUPAC Name]
2-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]ethanone [ACD/IUPAC Name]
2-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-décahydro-10H-1,10-benzodiazacyclotridécin-10-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(cyclopropylcarbonyl)-1,2,3,4,5,6,7,8,9,11-decahydro-10H-1,10-benzodiazacyclotridecin-10-yl]- [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: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10207.26
ACD/KOC (pH 5.5): 25773.02
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10207.35
ACD/KOC (pH 7.4): 25773.24
Polar Surface Area: 59 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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