Found 19 results

Search term: MF = 'C_{29}H_{37}N_{9}O'
ChemSpider 2D Image | N'-{6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-N,N-diethyl-1,4-benzenediamine | C29H37N9O

N'-{6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-N,N-diethyl-1,4-benzenediamine

  • Molecular FormulaC29H37N9O
  • Average mass527.664 Da
  • Monoisotopic mass527.312134 Da
  • ChemSpider ID121593443

More details:

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

1,4-Benzenediamine, N4-[6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl]-N1,N1-diethyl- [ACD/Index Name]
N'-{6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-N,N-diethyl-1,4-benzenediamine [ACD/IUPAC Name]
N'-{6-[4-(4,5-Diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-2-(3-méthoxyphényl)-4-pyrimidinyl}-N,N-diéthyl-1,4-benzènediamine [French] [ACD/IUPAC Name]
N'-{6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-N,N-diethyl-1,4-benzoldiamin [German] [ACD/IUPAC 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: 693.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.0±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 254.79
ACD/KOC (pH 7.4): 1566.39
Polar Surface Area: 87 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 425.0±7.0 cm3

Click to predict properties on the Chemicalize site


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