ChemSpider 2D Image | 1-[11-Acetyl-18-(cyclopropylmethyl)-3,11,18-triazatricyclo[12.3.1.0~5,10~]octadeca-5,7,9-trien-3-yl]-2-(4-isopropyl-1-piperazinyl)ethanone | C30H47N5O2

1-[11-Acetyl-18-(cyclopropylmethyl)-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-3-yl]-2-(4-isopropyl-1-piperazinyl)ethanone

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID77203615

More details:

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

1-[11-Acetyl-18-(cyclopropylmethyl)-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-3-yl]-2-(4-isopropyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-[11-Acetyl-18-(cyclopropylmethyl)-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-3-yl]-2-(4-isopropyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-[11-Acétyl-18-(cyclopropylméthyl)-3,11,18-triazatricyclo[12.3.1.05,10]octadéca-5,7,9-trién-3-yl]-2-(4-isopropyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-acetyl-16-(cyclopropylmethyl)-1,2,3,4,5,6,7,8,9,11-decahydro-4,8-imino-10H-1,10-benzodiazacyclotridecin-10-yl]-2-[4-(1-methylethyl)-1-piperazinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 287.0±23.9 °C
Index of Refraction: 1.555
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 10.23
Polar Surface Area: 50 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

Click to predict properties on the Chemicalize site


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