Found 1 result

Search term: OKLXZLLQLHWOGW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole | C28H25F2N7O2

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole

  • Molecular FormulaC28H25F2N7O2
  • Average mass529.541 Da
  • Monoisotopic mass529.203796 Da
  • ChemSpider ID9424562

More details:

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

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-9-nitro-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indole [ACD/IUPAC Name]
4-{4-[2-(3,4-Difluorophényl)éthyl]-1-pipérazinyl}-9-nitro-5-(4-pyridinylméthyl)-5H-pyrimido[5,4-b]indole [French] [ACD/IUPAC Name]
4-{4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl}-9-nitro-5-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indole
4-{4-[2-(3,4-Difluorphenyl)ethyl]-1-piperazinyl}-9-nitro-5-(4-pyridinylmethyl)-5H-pyrimido[5,4-b]indol [German] [ACD/IUPAC Name]
5H-Pyrimido[5,4-b]indole, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-9-nitro-5-(4-pyridinylmethyl)- [ACD/Index Name]
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-9-nitro-5-pyridin-4-ylmethyl-5H-pyrimido[5,4-b]indole
CHEMBL29743

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 103.08
ACD/KOC (pH 5.5): 470.86
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1145.03
ACD/KOC (pH 7.4): 5230.36
Polar Surface Area: 96 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 369.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement