Found 19 results

Search term: MF = 'C_{29}H_{29}N_{9}O_{2}'
ChemSpider 2D Image | 5-(4-{2-(3-Pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-1,3-benzoxazol-2(3H)-one | C29H29N9O2

5-(4-{2-(3-Pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC29H29N9O2
  • Average mass535.600 Da
  • Monoisotopic mass535.244446 Da
  • ChemSpider ID121992753

More details:

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

2(3H)-Benzoxazolone, 5-[4-[2-(3-pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
5-(4-{2-(3-Pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
5-(4-{2-(3-Pyridinyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-1-piperazinyl)-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
5-(4-{2-(3-Pyridinyl)-6-[4-(2-pyridinyl)-1-pipérazinyl]-4-pyrimidinyl}-1-pipérazinyl)-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.62
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): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 103 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 395.3±3.0 cm3

Click to predict properties on the Chemicalize site


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