Found 3425 results

Search term: MF = 'C_{27}H_{31}N_{5}O_{4}'
ChemSpider 2D Image | 3-[(trans-4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one | C27H31N5O4

3-[(trans-4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one

  • Molecular FormulaC27H31N5O4
  • Average mass489.566 Da
  • Monoisotopic mass489.237610 Da
  • ChemSpider ID21830889

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,3-Benzotriazin-4(3H)-one, 3-[[trans-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
3-[(trans-4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-on [German] [ACD/IUPAC Name]
3-[(trans-4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one [ACD/IUPAC Name]
3-[(trans-4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}cyclohexyl)méthyl]-1,2,3-benzotriazin-4(3H)-one [French] [ACD/IUPAC Name]
3-[(4-{[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]carbonyl}cyclohexyl)methyl]benzo[d]1,2,3-triazin-4-one
3-[(trans-4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
3-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carbonyl)-cyclohexylmethyl]-3H-benzo[d][1,2,3]triazin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 55.99
ACD/KOC (pH 5.5): 464.45
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.00
ACD/KOC (pH 7.4): 1260.76
Polar Surface Area: 87 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 344.9±7.0 cm3

Click to predict properties on the Chemicalize site


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