ChemSpider 2D Image | Diaplasinin | C32H31N5O

Diaplasinin

  • Molecular FormulaC32H31N5O
  • Average mass501.621 Da
  • Monoisotopic mass501.252869 Da
  • ChemSpider ID4953370

More details:

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

1-benzyl-3-pentyl-2-(6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl)-1H-indole
1-Benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)-2-naphthyl]-1H-indol [German] [ACD/IUPAC Name]
1-Benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)-2-naphthyl]-1H-indole [ACD/IUPAC Name]
1-Benzyl-3-pentyl-2-[6-(1H-tétrazol-5-ylméthoxy)-2-naphtyl]-1H-indole [French] [ACD/IUPAC Name]
1H-Indole, 3-pentyl-1-(phenylmethyl)-2-[6-(1H-tetrazol-5-ylmethoxy)-2-naphthalenyl]- [ACD/Index Name]
481631-45-2 [RN]
Diaplasinin [USAN]
NRL66AVH63
1-benzyl-3-pentyl-2-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]indole
Diaplasinin (USAN)
More...

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

8623 [DBID]
PAI-749 [DBID]
D03766 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.0±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 37765.57
ACD/KOC (pH 5.5): 28602.61
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 7465.79
ACD/KOC (pH 7.4): 5654.38
Polar Surface Area: 69 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 411.2±7.0 cm3

Click to predict properties on the Chemicalize site


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